3-acetyl-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

C15H19NO3 — CID 82522716

IUPAC3-acetyl-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCC(=O)c1cc2c(n(CC3CCCO3)c1=O)CCC2
InChIInChI=1S/C15H19NO3/c1-10(17)13-8-11-4-2-6-14(11)16(15(13)18)9-12-5-3-7-19-12/h8,12H,2-7,9H2,1H3
InChIKeyPAXNLKDTVDDFNH-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.72
Rot. Bonds3

About 3-acetyl-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

3-acetyl-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (PubChem CID 82522716) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-acetyl-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name3-acetyl-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
PubChem CID82522716
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-acetyl-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCC(=O)c1cc2c(n(CC3CCCO3)c1=O)CCC2
InChIInChI=1S/C15H19NO3/c1-10(17)13-8-11-4-2-6-14(11)16(15(13)18)9-12-5-3-7-19-12/h8,12H,2-7,9H2,1H3
InChIKeyPAXNLKDTVDDFNH-UHFFFAOYSA-N
XLogP1.72
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-acetyl-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-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

2-oxo-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbohydrazide
CID 82522709
2-[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-3-yl]acetyl chloride
CID 82522152
3-[(cyclopropylamino)methyl]-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522730
1-(oxolan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one
CID 82522169
2-[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-3-yl]acetonitrile
CID 82522163
3-acetyl-1-(oxolan-2-ylmethyl)-6-phenylpyridin-2-one
CID 82520976
6-methyl-2-oxo-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde
CID 82521737
3-(aminomethyl)-6-methyl-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521728
N-(4-acetamidophenyl)-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 91822604
1-[1-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]ethanone
CID 155480196
N-(1-acetamido-2-methyl-1-oxopropan-2-yl)-1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 90823052
5-acetyl-3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
CID 80648817

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 3-acetyl-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (CID 82522716) is 3-acetyl-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 3-acetyl-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 3-acetyl-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is CC(=O)c1cc2c(n(CC3CCCO3)c1=O)CCC2.
What is the InChIKey of 3-acetyl-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The InChIKey is PAXNLKDTVDDFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10(17)13-8-11-4-2-6-14(11)16(15(13)18)9-12-5-3-7-19-12/h8,12H,2-7,9H2,1H3.
What are the key properties of 3-acetyl-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
3-acetyl-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one has a molecular weight of 261.32 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 82522716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).