3-methyl-1-(2-oxopentyl)pyridin-2-one

C11H15NO2 — CID 63172826

IUPAC3-methyl-1-(2-oxopentyl)pyridin-2-one
SMILESCCCC(=O)Cn1cccc(C)c1=O
InChIInChI=1S/C11H15NO2/c1-3-5-10(13)8-12-7-4-6-9(2)11(12)14/h4,6-7H,3,5,8H2,1-2H3
InChIKeyCVACGYBVHLWFIG-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.53
Rot. Bonds4

About 3-methyl-1-(2-oxopentyl)pyridin-2-one

3-methyl-1-(2-oxopentyl)pyridin-2-one (PubChem CID 63172826) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-methyl-1-(2-oxopentyl)pyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-(2-oxopentyl)pyridin-2-one
PubChem CID63172826
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-methyl-1-(2-oxopentyl)pyridin-2-one
SMILESCCCC(=O)Cn1cccc(C)c1=O
InChIInChI=1S/C11H15NO2/c1-3-5-10(13)8-12-7-4-6-9(2)11(12)14/h4,6-7H,3,5,8H2,1-2H3
InChIKeyCVACGYBVHLWFIG-UHFFFAOYSA-N
XLogP1.53
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-(2-oxopentyl)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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-oxopentyl)pyridin-2-one?
The IUPAC name of 3-methyl-1-(2-oxopentyl)pyridin-2-one (CID 63172826) is 3-methyl-1-(2-oxopentyl)pyridin-2-one.
What is the SMILES notation for 3-methyl-1-(2-oxopentyl)pyridin-2-one?
The canonical SMILES for 3-methyl-1-(2-oxopentyl)pyridin-2-one is CCCC(=O)Cn1cccc(C)c1=O.
What is the InChIKey of 3-methyl-1-(2-oxopentyl)pyridin-2-one?
The InChIKey is CVACGYBVHLWFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-5-10(13)8-12-7-4-6-9(2)11(12)14/h4,6-7H,3,5,8H2,1-2H3.
What are the key properties of 3-methyl-1-(2-oxopentyl)pyridin-2-one?
3-methyl-1-(2-oxopentyl)pyridin-2-one has a molecular weight of 193.25 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-oxopentyl)pyridin-2-one is sourced from PubChem (CID 63172826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).