1-benzyl-3,4,4a,5,6,7a-hexahydro-2H-cyclopenta[b]pyridin-7-one

C15H19NO — CID 83823768

IUPAC1-benzyl-3,4,4a,5,6,7a-hexahydro-2H-cyclopenta[b]pyridin-7-one
SMILESO=C1CCC2CCCN(Cc3ccccc3)C12
InChIInChI=1S/C15H19NO/c17-14-9-8-13-7-4-10-16(15(13)14)11-12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2
InChIKeyHRSRGBMIGKDBNS-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.63
Rot. Bonds2

About 1-benzyl-3,4,4a,5,6,7a-hexahydro-2H-cyclopenta[b]pyridin-7-one

1-benzyl-3,4,4a,5,6,7a-hexahydro-2H-cyclopenta[b]pyridin-7-one (PubChem CID 83823768) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-benzyl-3,4,4a,5,6,7a-hexahydro-2H-cyclopenta[b]pyridin-7-one.

Molecular Properties

Compound Name1-benzyl-3,4,4a,5,6,7a-hexahydro-2H-cyclopenta[b]pyridin-7-one
PubChem CID83823768
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-benzyl-3,4,4a,5,6,7a-hexahydro-2H-cyclopenta[b]pyridin-7-one
SMILESO=C1CCC2CCCN(Cc3ccccc3)C12
InChIInChI=1S/C15H19NO/c17-14-9-8-13-7-4-10-16(15(13)14)11-12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2
InChIKeyHRSRGBMIGKDBNS-UHFFFAOYSA-N
XLogP2.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-3,4,4a,5,6,7a-hexahydro-2H-cyclopenta[b]pyridin-7-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-benzyl-3,4,5,5a,6,8,9,9a-octahydro-2H-benzo[b]azepin-7-one
CID 83488594
N-[(4aR,8aR)-1-benzyl-2,3,4,4a,5,6,8,8a-octahydroquinolin-7-ylidene]hydroxylamine
CID 86739741
(3aS,7aS)-1-benzyl-3,3a,5,6,7,7a-hexahydro-2H-indol-4-one
CID 86591295
(4aR,7aR)-1-benzyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one
CID 7200726
(4aS,9aR)-1-benzyl-3,4,4a,5,7,8,9,9a-octahydro-2H-pyrido[3,2-b]azepin-6-one
CID 178143548
(2S)-2-[(2S)-1-benzylazepan-2-yl]cyclopentan-1-one
CID 99978810
1-benzyl-N-methylpyrrolidin-2-amine;hydrochloride
CID 172758906
1-benzyl-2,3,3a,5,6,7,8,8a-octahydrocyclohepta[b]pyrrol-4-one
CID 78090939
(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 23282646
4-(1-benzylpyrrolidin-2-yl)piperidine
CID 82385405
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
(4aS)-1-propyl-2,3,4,4a,5,6,7,8a-octahydroquinolin-8-one
CID 70449555

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,4,4a,5,6,7a-hexahydro-2H-cyclopenta[b]pyridin-7-one?
The IUPAC name of 1-benzyl-3,4,4a,5,6,7a-hexahydro-2H-cyclopenta[b]pyridin-7-one (CID 83823768) is 1-benzyl-3,4,4a,5,6,7a-hexahydro-2H-cyclopenta[b]pyridin-7-one.
What is the SMILES notation for 1-benzyl-3,4,4a,5,6,7a-hexahydro-2H-cyclopenta[b]pyridin-7-one?
The canonical SMILES for 1-benzyl-3,4,4a,5,6,7a-hexahydro-2H-cyclopenta[b]pyridin-7-one is O=C1CCC2CCCN(Cc3ccccc3)C12.
What is the InChIKey of 1-benzyl-3,4,4a,5,6,7a-hexahydro-2H-cyclopenta[b]pyridin-7-one?
The InChIKey is HRSRGBMIGKDBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c17-14-9-8-13-7-4-10-16(15(13)14)11-12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2.
What are the key properties of 1-benzyl-3,4,4a,5,6,7a-hexahydro-2H-cyclopenta[b]pyridin-7-one?
1-benzyl-3,4,4a,5,6,7a-hexahydro-2H-cyclopenta[b]pyridin-7-one has a molecular weight of 229.32 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,4,4a,5,6,7a-hexahydro-2H-cyclopenta[b]pyridin-7-one is sourced from PubChem (CID 83823768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).