3-methyl-3H-pyridin-2-one

C6H7NO — CID 90753333

IUPAC3-methyl-3H-pyridin-2-one
SMILESCC1C=CC=NC1=O
InChIInChI=1S/C6H7NO/c1-5-3-2-4-7-6(5)8/h2-5H,1H3
InChIKeyXSMJPWQCLKZBIC-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.79
Rot. Bonds

About 3-methyl-3H-pyridin-2-one

3-methyl-3H-pyridin-2-one (PubChem CID 90753333) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 3-methyl-3H-pyridin-2-one.

Molecular Properties

Compound Name3-methyl-3H-pyridin-2-one
PubChem CID90753333
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name3-methyl-3H-pyridin-2-one
SMILESCC1C=CC=NC1=O
InChIInChI=1S/C6H7NO/c1-5-3-2-4-7-6(5)8/h2-5H,1H3
InChIKeyXSMJPWQCLKZBIC-UHFFFAOYSA-N
XLogP0.79
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-methyl-3H-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-3H-pyridin-2-one?
The IUPAC name of 3-methyl-3H-pyridin-2-one (CID 90753333) is 3-methyl-3H-pyridin-2-one.
What is the SMILES notation for 3-methyl-3H-pyridin-2-one?
The canonical SMILES for 3-methyl-3H-pyridin-2-one is CC1C=CC=NC1=O.
What is the InChIKey of 3-methyl-3H-pyridin-2-one?
The InChIKey is XSMJPWQCLKZBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c1-5-3-2-4-7-6(5)8/h2-5H,1H3.
What are the key properties of 3-methyl-3H-pyridin-2-one?
3-methyl-3H-pyridin-2-one has a molecular weight of 109.13 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3H-pyridin-2-one is sourced from PubChem (CID 90753333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).