1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpyridin-2-one

C13H19NO2 — CID 104753235

IUPAC1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpyridin-2-one
SMILESCc1ccn(CC(O)C2CCCC2)c(=O)c1
InChIInChI=1S/C13H19NO2/c1-10-6-7-14(13(16)8-10)9-12(15)11-4-2-3-5-11/h6-8,11-12,15H,2-5,9H2,1H3
InChIKeyOIRRTDGUKLNJSY-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.71
Rot. Bonds3

About 1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpyridin-2-one

1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpyridin-2-one (PubChem CID 104753235) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpyridin-2-one
PubChem CID104753235
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpyridin-2-one
SMILESCc1ccn(CC(O)C2CCCC2)c(=O)c1
InChIInChI=1S/C13H19NO2/c1-10-6-7-14(13(16)8-10)9-12(15)11-4-2-3-5-11/h6-8,11-12,15H,2-5,9H2,1H3
InChIKeyOIRRTDGUKLNJSY-UHFFFAOYSA-N
XLogP1.71
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-cyclopentyl-2-hydroxyethyl)-4-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

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpyridin-2-one?
The IUPAC name of 1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpyridin-2-one (CID 104753235) is 1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpyridin-2-one.
What is the SMILES notation for 1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpyridin-2-one?
The canonical SMILES for 1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpyridin-2-one is Cc1ccn(CC(O)C2CCCC2)c(=O)c1.
What is the InChIKey of 1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpyridin-2-one?
The InChIKey is OIRRTDGUKLNJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-6-7-14(13(16)8-10)9-12(15)11-4-2-3-5-11/h6-8,11-12,15H,2-5,9H2,1H3.
What are the key properties of 1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpyridin-2-one?
1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpyridin-2-one has a molecular weight of 221.30 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpyridin-2-one is sourced from PubChem (CID 104753235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).