1-[3-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-oxopropyl]-4-hydroxy-6-methylpyridin-2-one

C18H26N2O3 — CID 136587937

IUPAC1-[3-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-oxopropyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)cc(=O)n1CCC(=O)N1CC(C)(C)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C18H26N2O3/c1-12-9-13(21)10-17(23)19(12)8-7-16(22)20-11-18(2,3)14-5-4-6-15(14)20/h9-10,14-15,21H,4-8,11H2,1-3H3/t14-,15+/m1/s1
InChIKeyXNZTZOFDBIIVMI-CABCVRRESA-N
MW318.42 g/mol
LogP2.29
Rot. Bonds3

About 1-[3-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-oxopropyl]-4-hydroxy-6-methylpyridin-2-one

1-[3-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-oxopropyl]-4-hydroxy-6-methylpyridin-2-one (PubChem CID 136587937) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[3-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-oxopropyl]-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[3-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-oxopropyl]-4-hydroxy-6-methylpyridin-2-one
PubChem CID136587937
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-[3-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-oxopropyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)cc(=O)n1CCC(=O)N1CC(C)(C)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C18H26N2O3/c1-12-9-13(21)10-17(23)19(12)8-7-16(22)20-11-18(2,3)14-5-4-6-15(14)20/h9-10,14-15,21H,4-8,11H2,1-3H3/t14-,15+/m1/s1
InChIKeyXNZTZOFDBIIVMI-CABCVRRESA-N
XLogP2.29
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-oxopropyl]-4-hydroxy-6-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-oxopropyl]-4-hydroxy-6-methylpyridin-2-one
CID 131960539
1-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-(2H-triazol-4-yl)propan-1-one
CID 164643072
6-[1-[3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanoyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 110152826
1-(2-aminoethyl)-4-hydroxy-6-methylpyridin-2-one
CID 82503073
N-[(4-chlorophenyl)-cyclopropylmethyl]-3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanamide
CID 136534339
4-hydroxy-6-methyl-1-[4-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-4-oxobutyl]pyridin-2-one
CID 171145175
4-hydroxy-6-methyl-1-[4-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-4-oxobutyl]pyridin-2-one
CID 91822587
1-[4-[(2R,3aS,9aS)-2-benzyl-3a,4-dimethyl-2,3,5,6,7,8,9,9a-octahydropyrrolo[3,2-b]azocin-1-yl]-4-oxobutyl]-4-hydroxy-6-methylpyridin-2-one
CID 110142383
1-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 136587944
1-[2-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-hydroxy-6-methylpyridin-2-one
CID 124609289
1-[4-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutyl]-4-hydroxy-6-methylpyridin-2-one
CID 110204839
1-[4-[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutyl]-4-hydroxy-6-methylpyridin-2-one
CID 124875916

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-oxopropyl]-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 1-[3-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-oxopropyl]-4-hydroxy-6-methylpyridin-2-one (CID 136587937) is 1-[3-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-oxopropyl]-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-[3-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-oxopropyl]-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 1-[3-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-oxopropyl]-4-hydroxy-6-methylpyridin-2-one is Cc1cc(O)cc(=O)n1CCC(=O)N1CC(C)(C)[C@@H]2CCC[C@@H]21.
What is the InChIKey of 1-[3-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-oxopropyl]-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is XNZTZOFDBIIVMI-CABCVRRESA-N. The full InChI is InChI=1S/C18H26N2O3/c1-12-9-13(21)10-17(23)19(12)8-7-16(22)20-11-18(2,3)14-5-4-6-15(14)20/h9-10,14-15,21H,4-8,11H2,1-3H3/t14-,15+/m1/s1.
What are the key properties of 1-[3-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-oxopropyl]-4-hydroxy-6-methylpyridin-2-one?
1-[3-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-oxopropyl]-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 318.42 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-oxopropyl]-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 136587937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).