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Organoheterocyclic compounds

Organic compounds that consist of ring structures, or cyclic compounds that have atoms of at least two different elements as members of its ring(s).
Azobenzenes (2)
Azolidines (5)
Azolines (2)
Benzodioxanes (4)
Benzodioxoles (7)
Biotin and derivatives (4)
Dihydrofurans (2)
Dithiolanes (1)
Epoxides (4)
Furans (1)
Heteroaromatic compounds (62)
Imidazopyrimidines (7)
Imidolactams (2)
Indoles and derivatives (5)
Isobenzofurans (1)
Lactims (1)
Lactones (4)
Oxacyclic compounds (13)
Oxanes (2)
Oxazinanes (2)
Oxepanes (2)
Phenanthrolines (1)
Piperazines (13)
Piperidines (9)
Pyrans (3)
Pyridazines and derivatives (1)
Pyridines and derivatives (18)
Pyrimidines And Derivatives (1)
Pyrrolidines (9)
Quinolines and derivatives (8)
Selenazoles (1)
Selenophenes (2)
Thiazines (3)
Thiophenes (1)
Triazines (4)
Trioxanes (5)
Azoles (36)

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1 – 15 of 125 results
1
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N-Vinyl-2-pyrrolidone, 99%, stabilized with NaOH

CAS: 88-12-0 Molecular Formula: C6H9NO Molecular Weight (g/mol): 111.14 MDL Number: MFCD00003197 InChI Key: WHNWPMSKXPGLAX-UHFFFAOYSA-N Synonym: n-vinyl-2-pyrrolidone,n-vinylpyrrolidone,1-vinyl-2-pyrrolidone,1-vinylpyrrolidin-2-one,n-vinyl-2-pyrrolidinone,vinylpyrrolidone,2-pyrrolidinone, 1-ethenyl,1-vinyl-2-pyrrolidinone,n-vinylpyrrolidinone,1-vinylpyrrolidone PubChem CID: 6917 ChEBI: CHEBI:82551 IUPAC Name: 1-ethenylpyrrolidin-2-one SMILES: C=CN1CCCC1=O

EDGE
PubChem CID 6917
CAS 88-12-0
Molecular Weight (g/mol) 111.14
ChEBI CHEBI:82551
MDL Number MFCD00003197
SMILES C=CN1CCCC1=O
Synonym n-vinyl-2-pyrrolidone,n-vinylpyrrolidone,1-vinyl-2-pyrrolidone,1-vinylpyrrolidin-2-one,n-vinyl-2-pyrrolidinone,vinylpyrrolidone,2-pyrrolidinone, 1-ethenyl,1-vinyl-2-pyrrolidinone,n-vinylpyrrolidinone,1-vinylpyrrolidone
IUPAC Name 1-ethenylpyrrolidin-2-one
InChI Key WHNWPMSKXPGLAX-UHFFFAOYSA-N
Molecular Formula C6H9NO
2
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Thermo Scientific Chemicals D(+)-Biotin, 98%

CAS: 58-85-5 Molecular Formula: C10H16N2O3S Molecular Weight (g/mol): 244.31 MDL Number: MFCD00005541 InChI Key: YBJHBAHKTGYVGT-UHFFFAOYNA-N Synonym: biotin,d-biotin,vitamin h,coenzyme r,vitamin b7,bios ii,factor s,bioepiderm,d +-biotin,biodermatin PubChem CID: 171548 ChEBI: CHEBI:15956 IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid SMILES: OC(=O)CCCCC1SCC2NC(=O)NC12

EDGE
PubChem CID 171548
CAS 58-85-5
Molecular Weight (g/mol) 244.31
ChEBI CHEBI:15956
MDL Number MFCD00005541
SMILES OC(=O)CCCCC1SCC2NC(=O)NC12
Synonym biotin,d-biotin,vitamin h,coenzyme r,vitamin b7,bios ii,factor s,bioepiderm,d +-biotin,biodermatin
IUPAC Name 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
InChI Key YBJHBAHKTGYVGT-UHFFFAOYNA-N
Molecular Formula C10H16N2O3S
3
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Xanthine, 98%

CAS: 69-89-6 Molecular Formula: C5H4N4O2 Molecular Weight (g/mol): 152.11 MDL Number: MFCD00078453 InChI Key: LRFVTYWOQMYALW-UHFFFAOYSA-N Synonym: xanthine,2,6-dihydroxypurine,xanthin,2,6-dioxopurine,pseudoxanthine,1h-purine-2,6 3h,7h-dione,isoxanthine,xanthic oxide,1h-purine-2,6-diol,9h-purine-2,6-diol PubChem CID: 1188 ChEBI: CHEBI:17712 IUPAC Name: 3,7-dihydropurine-2,6-dione SMILES: C1=NC2=C(N1)C(=O)NC(=O)N2

EDGE
PubChem CID 1188
CAS 69-89-6
Molecular Weight (g/mol) 152.11
ChEBI CHEBI:17712
MDL Number MFCD00078453
SMILES C1=NC2=C(N1)C(=O)NC(=O)N2
Synonym xanthine,2,6-dihydroxypurine,xanthin,2,6-dioxopurine,pseudoxanthine,1h-purine-2,6 3h,7h-dione,isoxanthine,xanthic oxide,1h-purine-2,6-diol,9h-purine-2,6-diol
IUPAC Name 3,7-dihydropurine-2,6-dione
InChI Key LRFVTYWOQMYALW-UHFFFAOYSA-N
Molecular Formula C5H4N4O2
4
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1,3-Dimethyl-2-imidazolidinone, 98%

CAS: 80-73-9 Molecular Formula: C5H10N2O Molecular Weight (g/mol): 114.15 MDL Number: MFCD00003188 InChI Key: CYSGHNMQYZDMIA-UHFFFAOYSA-N Synonym: 1,3-dimethyl-2-imidazolidinone,n,n'-dimethylethyleneurea,dimethyl imidazolidinone,n,n'-dimethylimidazolidinone,1,3-dimethylimidazolidone,rhonite 1,dmeu,karbomos tsem,2-imidazolidinone, 1,3-dimethyl,1,3-dimethylethyleneurea PubChem CID: 6661 IUPAC Name: 1,3-dimethylimidazolidin-2-one SMILES: CN1CCN(C)C1=O

EDGE
PubChem CID 6661
CAS 80-73-9
Molecular Weight (g/mol) 114.15
MDL Number MFCD00003188
SMILES CN1CCN(C)C1=O
Synonym 1,3-dimethyl-2-imidazolidinone,n,n'-dimethylethyleneurea,dimethyl imidazolidinone,n,n'-dimethylimidazolidinone,1,3-dimethylimidazolidone,rhonite 1,dmeu,karbomos tsem,2-imidazolidinone, 1,3-dimethyl,1,3-dimethylethyleneurea
IUPAC Name 1,3-dimethylimidazolidin-2-one
InChI Key CYSGHNMQYZDMIA-UHFFFAOYSA-N
Molecular Formula C5H10N2O
5

2,2'-Biimidazole

CAS: 492-98-8 Molecular Formula: C6H6N4 Molecular Weight (g/mol): 134.14 MDL Number: MFCD00047014 InChI Key: AZUHIVLOSAPWDM-UHFFFAOYSA-N Synonym: 2,2 '-Bisimidazole; 2,2 '-Diimidazole IUPAC Name: 1H,1'H-2,2'-biimidazole SMILES: N1C=CN=C1C1=NC=CN1

CAS 492-98-8
Molecular Weight (g/mol) 134.14
MDL Number MFCD00047014
SMILES N1C=CN=C1C1=NC=CN1
Synonym 2,2 '-Bisimidazole; 2,2 '-Diimidazole
IUPAC Name 1H,1'H-2,2'-biimidazole
InChI Key AZUHIVLOSAPWDM-UHFFFAOYSA-N
Molecular Formula C6H6N4
6

Caffeine, citrated

CAS: 69-22-7 Molecular Formula: C14H18N4O9 Molecular Weight (g/mol): 386.32 MDL Number: MFCD00044986 InChI Key: RCQXSQPPHJPGOF-UHFFFAOYSA-N Synonym: caffeine citrate,caffeine, citrated,caffeina citrate,citrated caffein,caffeine citrate 1:1,caffeine citrated,unii-u26eo4675q,citric acid, compd. with caffeine 1:1,1,2,3-propanetricarboxylic acid, 2-hydroxy-, mixt. with 3,7-dihydro-1,3,7-trimethyl-1h-purine-2,6-dione,dsstox_cid_26938 PubChem CID: 6241 IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid;1,3,7-trimethylpurine-2,6-dione SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O.CN1C=NC2=C1C(=O)N(C)C(=O)N2C

PubChem CID 6241
CAS 69-22-7
Molecular Weight (g/mol) 386.32
MDL Number MFCD00044986
SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN1C=NC2=C1C(=O)N(C)C(=O)N2C
Synonym caffeine citrate,caffeine, citrated,caffeina citrate,citrated caffein,caffeine citrate 1:1,caffeine citrated,unii-u26eo4675q,citric acid, compd. with caffeine 1:1,1,2,3-propanetricarboxylic acid, 2-hydroxy-, mixt. with 3,7-dihydro-1,3,7-trimethyl-1h-purine-2,6-dione,dsstox_cid_26938
IUPAC Name 2-hydroxypropane-1,2,3-tricarboxylic acid;1,3,7-trimethylpurine-2,6-dione
InChI Key RCQXSQPPHJPGOF-UHFFFAOYSA-N
Molecular Formula C14H18N4O9
7
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1-Methylimidazole, 99%

CAS: 616-47-7 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.11 MDL Number: MFCD00005292 InChI Key: MCTWTZJPVLRJOU-UHFFFAOYSA-N Synonym: 1-methyl-1h-imidazole,n-methylimidazole,1h-imidazole, 1-methyl,imidazole, 1-methyl,n-methyl imidazole,1-methyl-imidazole,unii-p4617qs63y,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole PubChem CID: 1390 ChEBI: CHEBI:113454 IUPAC Name: 1-methylimidazole SMILES: CN1C=CN=C1

PubChem CID 1390
CAS 616-47-7
Molecular Weight (g/mol) 82.11
ChEBI CHEBI:113454
MDL Number MFCD00005292
SMILES CN1C=CN=C1
Synonym 1-methyl-1h-imidazole,n-methylimidazole,1h-imidazole, 1-methyl,imidazole, 1-methyl,n-methyl imidazole,1-methyl-imidazole,unii-p4617qs63y,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole
IUPAC Name 1-methylimidazole
InChI Key MCTWTZJPVLRJOU-UHFFFAOYSA-N
Molecular Formula C4H6N2
8
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Pyrrole, 99%, extra pure

CAS: 109-97-7 Molecular Formula: C4H5N Molecular Weight (g/mol): 67.09 MDL Number: MFCD00005216 InChI Key: KAESVJOAVNADME-UHFFFAOYSA-N Synonym: pyrrole,divinylenimine,azole,imidole,pyrrol,monopyrrole,divinyleneimine,1-aza-2,4-cyclopentadiene,polypyrrole,unii-86s1zd6l2c PubChem CID: 8027 ChEBI: CHEBI:19203 IUPAC Name: 1H-pyrrole SMILES: N1C=CC=C1

PubChem CID 8027
CAS 109-97-7
Molecular Weight (g/mol) 67.09
ChEBI CHEBI:19203
MDL Number MFCD00005216
SMILES N1C=CC=C1
Synonym pyrrole,divinylenimine,azole,imidole,pyrrol,monopyrrole,divinyleneimine,1-aza-2,4-cyclopentadiene,polypyrrole,unii-86s1zd6l2c
IUPAC Name 1H-pyrrole
InChI Key KAESVJOAVNADME-UHFFFAOYSA-N
Molecular Formula C4H5N
9
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(±)-Propylene oxide, 99%, pure

CAS: 75-56-9 Molecular Formula: C3H6O Molecular Weight (g/mol): 58.08 MDL Number: MFCD00005126 InChI Key: GOOHAUXETOMSMM-UHFFFAOYNA-N Synonym: propylene oxide,1,2-epoxypropane,methyloxirane,epoxypropane,propyleneoxide,propene oxide,oxirane, methyl,1,2-propylene oxide,propylene epoxide,2,3-epoxypropane PubChem CID: 6378 ChEBI: CHEBI:38685 IUPAC Name: 2-methyloxirane SMILES: CC1CO1

PubChem CID 6378
CAS 75-56-9
Molecular Weight (g/mol) 58.08
ChEBI CHEBI:38685
MDL Number MFCD00005126
SMILES CC1CO1
Synonym propylene oxide,1,2-epoxypropane,methyloxirane,epoxypropane,propyleneoxide,propene oxide,oxirane, methyl,1,2-propylene oxide,propylene epoxide,2,3-epoxypropane
IUPAC Name 2-methyloxirane
InChI Key GOOHAUXETOMSMM-UHFFFAOYNA-N
Molecular Formula C3H6O
10
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Thermo Scientific Chemicals Cycloheximide, 95%

CAS: 66-81-9 Molecular Formula: C15H23NO4 Molecular Weight (g/mol): 281.35 MDL Number: MFCD00082346 InChI Key: YPHMISFOHDHNIV-QTEFRXOUNA-N Synonym: cycloheximide,actidione,cycloheximide,naramycin a,kaken,actidion,actidone,hizarocin,naramycin,neocycloheximide PubChem CID: 6197 ChEBI: CHEBI:27641 IUPAC Name: 4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione SMILES: [H][C@]1(C[C@@H](C)C[C@H](C)C1=O)[C@H](O)CC1CC(=O)NC(=O)C1

PubChem CID 6197
CAS 66-81-9
Molecular Weight (g/mol) 281.35
ChEBI CHEBI:27641
MDL Number MFCD00082346
SMILES [H][C@]1(C[C@@H](C)C[C@H](C)C1=O)[C@H](O)CC1CC(=O)NC(=O)C1
Synonym cycloheximide,actidione,cycloheximide,naramycin a,kaken,actidion,actidone,hizarocin,naramycin,neocycloheximide
IUPAC Name 4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione
InChI Key YPHMISFOHDHNIV-QTEFRXOUNA-N
Molecular Formula C15H23NO4
11
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gamma-Valerolactone, 98%

CAS: 108-29-2 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00005400 InChI Key: GAEKPEKOJKCEMS-UHFFFAOYSA-N Synonym: gamma-valerolactone,4-valerolactone,4-pentanolide,5-methyldihydrofuran-2 3h-one,4-hydroxypentanoic acid lactone,gamma-pentalactone,4-hydroxyvaleric acid lactone,2 3h-furanone, dihydro-5-methyl,4-methyl-gamma-butyrolactone,pentanolide-1,4 PubChem CID: 7921 ChEBI: CHEBI:48569 IUPAC Name: 5-methyloxolan-2-one SMILES: CC1CCC(=O)O1

PubChem CID 7921
CAS 108-29-2
Molecular Weight (g/mol) 100.12
ChEBI CHEBI:48569
MDL Number MFCD00005400
SMILES CC1CCC(=O)O1
Synonym gamma-valerolactone,4-valerolactone,4-pentanolide,5-methyldihydrofuran-2 3h-one,4-hydroxypentanoic acid lactone,gamma-pentalactone,4-hydroxyvaleric acid lactone,2 3h-furanone, dihydro-5-methyl,4-methyl-gamma-butyrolactone,pentanolide-1,4
IUPAC Name 5-methyloxolan-2-one
InChI Key GAEKPEKOJKCEMS-UHFFFAOYSA-N
Molecular Formula C5H8O2
12
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Serotonin creatinine sulfate monohydrate, 99%

CAS: 61-47-2 Molecular Formula: H2SO4·H2O Molecular Weight (g/mol): 405.42 MDL Number: MFCD00149653 InChI Key: BKCXVJIGPVULPX-UHFFFAOYSA-N Synonym: serotonin creatinine sulfate monohydrate,serotonin creatinin-sulfat-1-wasser,unii-6l522laq9u,serotonin creatine sulfate monohydrate,creatinina serotonin sulfuric acid hydrate,1-benzo b thien-3-yl-3-1-pyrrolidinyl-1-propanone hydrochloride,1-propanone, 1-benzo b thien-3-yl-3-1-pyrrolidinyl-, hydrochloride,sulfuric acid compound with 2-imino-1-methylimidazolidin-4-one and 3-2-aminoethyl-1h-indol-5-ol 1:1:1 hydrate,ccris 8960,serotonincreatininesulfatemonohydrate PubChem CID: 164531 IUPAC Name: 3-(2-aminoethyl)-1H-indol-5-ol;2-amino-3-methyl-4H-imidazol-5-one;sulfuric acid;hydrate SMILES: CN1CC(=O)N=C1N.C1=CC2=C(C=C1O)C(=CN2)CCN.O.OS(=O)(=O)O

PubChem CID 164531
CAS 61-47-2
Molecular Weight (g/mol) 405.42
MDL Number MFCD00149653
SMILES CN1CC(=O)N=C1N.C1=CC2=C(C=C1O)C(=CN2)CCN.O.OS(=O)(=O)O
Synonym serotonin creatinine sulfate monohydrate,serotonin creatinin-sulfat-1-wasser,unii-6l522laq9u,serotonin creatine sulfate monohydrate,creatinina serotonin sulfuric acid hydrate,1-benzo b thien-3-yl-3-1-pyrrolidinyl-1-propanone hydrochloride,1-propanone, 1-benzo b thien-3-yl-3-1-pyrrolidinyl-, hydrochloride,sulfuric acid compound with 2-imino-1-methylimidazolidin-4-one and 3-2-aminoethyl-1h-indol-5-ol 1:1:1 hydrate,ccris 8960,serotonincreatininesulfatemonohydrate
IUPAC Name 3-(2-aminoethyl)-1H-indol-5-ol;2-amino-3-methyl-4H-imidazol-5-one;sulfuric acid;hydrate
InChI Key BKCXVJIGPVULPX-UHFFFAOYSA-N
Molecular Formula H2SO4·H2O
13
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3-Aminophthalhydrazide, 98%, pure

CAS: 521-31-3 Molecular Formula: C8H7N3O2 Molecular Weight (g/mol): 177.16 MDL Number: MFCD00006890 InChI Key: HWYHZTIRURJOHG-UHFFFAOYSA-N Synonym: luminol,3-aminophthalhydrazide,3-aminophthalic hydrazide,5-amino-2,3-dihydro-1,4-phthalazinedione,1,4-phthalazinedione, 5-amino-2,3-dihydro,3-aminophthalic acid hydrazide,5-amino-1,2,3,4-tetrahydrophthalazine-1,4-dione,unii-5exp385q4f,ccris 5962,3-aminophthalylhydrazide PubChem CID: 10638 IUPAC Name: 5-amino-2,3-dihydrophthalazine-1,4-dione SMILES: C1=CC2=C(C(=C1)N)C(=O)NNC2=O

PubChem CID 10638
CAS 521-31-3
Molecular Weight (g/mol) 177.16
MDL Number MFCD00006890
SMILES C1=CC2=C(C(=C1)N)C(=O)NNC2=O
Synonym luminol,3-aminophthalhydrazide,3-aminophthalic hydrazide,5-amino-2,3-dihydro-1,4-phthalazinedione,1,4-phthalazinedione, 5-amino-2,3-dihydro,3-aminophthalic acid hydrazide,5-amino-1,2,3,4-tetrahydrophthalazine-1,4-dione,unii-5exp385q4f,ccris 5962,3-aminophthalylhydrazide
IUPAC Name 5-amino-2,3-dihydrophthalazine-1,4-dione
InChI Key HWYHZTIRURJOHG-UHFFFAOYSA-N
Molecular Formula C8H7N3O2
14
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1,4-Diazabicyclo[2.2.2]octane, 97%

CAS: 280-57-9 Molecular Formula: C6H12N2 Molecular Weight (g/mol): 112.17 MDL Number: MFCD00006689 InChI Key: IMNIMPAHZVJRPE-UHFFFAOYSA-N Synonym: 1,4-diazabicyclo 2.2.2 octane,triethylenediamine,dabco,dabco 33lv,1,4-ethylenepiperazine,dabco crystal,teda,texacat td 100,dabco s-25 PubChem CID: 9237 IUPAC Name: 1,4-diazabicyclo[2.2.2]octane SMILES: C1CN2CCN1CC2

PubChem CID 9237
CAS 280-57-9
Molecular Weight (g/mol) 112.17
MDL Number MFCD00006689
SMILES C1CN2CCN1CC2
Synonym 1,4-diazabicyclo 2.2.2 octane,triethylenediamine,dabco,dabco 33lv,1,4-ethylenepiperazine,dabco crystal,teda,texacat td 100,dabco s-25
IUPAC Name 1,4-diazabicyclo[2.2.2]octane
InChI Key IMNIMPAHZVJRPE-UHFFFAOYSA-N
Molecular Formula C6H12N2
15
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Maleic anhydride, 99%, pastilles

CAS: 108-31-6 Molecular Formula: C4H2O3 Molecular Weight (g/mol): 98.06 MDL Number: MFCD00005518 InChI Key: FPYJFEHAWHCUMM-UHFFFAOYSA-N Synonym: maleic anhydride,2,5-furandione,maleic acid anhydride,toxilic anhydride,dihydro-2,5-dioxofuran,cis-butenedioic anhydride,2,5-dihydrofuran-2,5-dione,polymaleic anhydride,maleinanhydrid,rcra waste number u147 PubChem CID: 7923 ChEBI: CHEBI:474859 SMILES: O=C1OC(=O)C=C1

PubChem CID 7923
CAS 108-31-6
Molecular Weight (g/mol) 98.06
ChEBI CHEBI:474859
MDL Number MFCD00005518
SMILES O=C1OC(=O)C=C1
Synonym maleic anhydride,2,5-furandione,maleic acid anhydride,toxilic anhydride,dihydro-2,5-dioxofuran,cis-butenedioic anhydride,2,5-dihydrofuran-2,5-dione,polymaleic anhydride,maleinanhydrid,rcra waste number u147
InChI Key FPYJFEHAWHCUMM-UHFFFAOYSA-N
Molecular Formula C4H2O3