4,5-dimethyl-3H-pyridin-2-one

C7H9NO — CID 90993310

IUPAC4,5-dimethyl-3H-pyridin-2-one
SMILESCC1=C(C)CC(=O)N=C1
InChIInChI=1S/C7H9NO/c1-5-3-7(9)8-4-6(5)2/h4H,3H2,1-2H3
InChIKeySGQWNCQITQWKTA-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.32
Rot. Bonds

About 4,5-dimethyl-3H-pyridin-2-one

4,5-dimethyl-3H-pyridin-2-one (PubChem CID 90993310) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 4,5-dimethyl-3H-pyridin-2-one.

Molecular Properties

Compound Name4,5-dimethyl-3H-pyridin-2-one
PubChem CID90993310
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name4,5-dimethyl-3H-pyridin-2-one
SMILESCC1=C(C)CC(=O)N=C1
InChIInChI=1S/C7H9NO/c1-5-3-7(9)8-4-6(5)2/h4H,3H2,1-2H3
InChIKeySGQWNCQITQWKTA-UHFFFAOYSA-N
XLogP1.32
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,5-dimethyl-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 4,5-dimethyl-3H-pyridin-2-one?
The IUPAC name of 4,5-dimethyl-3H-pyridin-2-one (CID 90993310) is 4,5-dimethyl-3H-pyridin-2-one.
What is the SMILES notation for 4,5-dimethyl-3H-pyridin-2-one?
The canonical SMILES for 4,5-dimethyl-3H-pyridin-2-one is CC1=C(C)CC(=O)N=C1.
What is the InChIKey of 4,5-dimethyl-3H-pyridin-2-one?
The InChIKey is SGQWNCQITQWKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-5-3-7(9)8-4-6(5)2/h4H,3H2,1-2H3.
What are the key properties of 4,5-dimethyl-3H-pyridin-2-one?
4,5-dimethyl-3H-pyridin-2-one has a molecular weight of 123.15 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3H-pyridin-2-one is sourced from PubChem (CID 90993310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).