6-methyl-5-propanoyl-1H-pyridin-2-one

C9H11NO2 — CID 13232041

IUPAC6-methyl-5-propanoyl-1H-pyridin-2-one
SMILESCCC(=O)c1ccc(=O)[nH]c1C
InChIInChI=1S/C9H11NO2/c1-3-8(11)7-4-5-9(12)10-6(7)2/h4-5H,3H2,1-2H3,(H,10,12)
InChIKeyGWCNLYWJTUWLAR-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.28
Rot. Bonds2

About 6-methyl-5-propanoyl-1H-pyridin-2-one

6-methyl-5-propanoyl-1H-pyridin-2-one (PubChem CID 13232041) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 6-methyl-5-propanoyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-5-propanoyl-1H-pyridin-2-one
PubChem CID13232041
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name6-methyl-5-propanoyl-1H-pyridin-2-one
SMILESCCC(=O)c1ccc(=O)[nH]c1C
InChIInChI=1S/C9H11NO2/c1-3-8(11)7-4-5-9(12)10-6(7)2/h4-5H,3H2,1-2H3,(H,10,12)
InChIKeyGWCNLYWJTUWLAR-UHFFFAOYSA-N
XLogP1.28
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methyl-5-propanoyl-1H-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 6-methyl-5-propanoyl-1H-pyridin-2-one?
The IUPAC name of 6-methyl-5-propanoyl-1H-pyridin-2-one (CID 13232041) is 6-methyl-5-propanoyl-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-5-propanoyl-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-5-propanoyl-1H-pyridin-2-one is CCC(=O)c1ccc(=O)[nH]c1C.
What is the InChIKey of 6-methyl-5-propanoyl-1H-pyridin-2-one?
The InChIKey is GWCNLYWJTUWLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-3-8(11)7-4-5-9(12)10-6(7)2/h4-5H,3H2,1-2H3,(H,10,12).
What are the key properties of 6-methyl-5-propanoyl-1H-pyridin-2-one?
6-methyl-5-propanoyl-1H-pyridin-2-one has a molecular weight of 165.19 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-propanoyl-1H-pyridin-2-one is sourced from PubChem (CID 13232041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).