3-acetyl-1,6-dimethylpyridin-2-one

C9H11NO2 — CID 82064508

IUPAC3-acetyl-1,6-dimethylpyridin-2-one
SMILESCC(=O)c1ccc(C)n(C)c1=O
InChIInChI=1S/C9H11NO2/c1-6-4-5-8(7(2)11)9(12)10(6)3/h4-5H,1-3H3
InChIKeyNKTYCSDMSWJAOZ-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.90
Rot. Bonds1

About 3-acetyl-1,6-dimethylpyridin-2-one

3-acetyl-1,6-dimethylpyridin-2-one (PubChem CID 82064508) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 3-acetyl-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-acetyl-1,6-dimethylpyridin-2-one
PubChem CID82064508
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name3-acetyl-1,6-dimethylpyridin-2-one
SMILESCC(=O)c1ccc(C)n(C)c1=O
InChIInChI=1S/C9H11NO2/c1-6-4-5-8(7(2)11)9(12)10(6)3/h4-5H,1-3H3
InChIKeyNKTYCSDMSWJAOZ-UHFFFAOYSA-N
XLogP0.90
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-acetyl-1,6-dimethylpyridin-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

Related Compounds

3-acetyl-4,6-dimethyl-1H-pyridin-2-one
CID 2302267
2(1H)-Pyridone, 3-acetyl-4-hydroxy-1,6-dimethyl-
CID 54691703
1,6-Dimethyl-pyridin-2,4(1H,3H)-dion
CID 20637455
N-butyl-3-acetyl-2-pyridone
CID 82526873
1-Methyl-3-propanoyl-6-(trifluoromethyl)pyridin-2-one
CID 172375713
3-Acetyl-1-[3-(dimethylamino)propyl]-6-(trifluoromethyl)pyridin-2-one
CID 172375933
3-Acetyl-1-[2-(dimethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
CID 172376199
3-Acetyl-1-methyl-6-(trifluoromethyl)pyridin-2-one
CID 172376829
3-Acetyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 172377178
3-Acetyl-1-[3-(dimethylamino)propyl]-6-(trifluoromethyl)pyridin-2-one;ethane
CID 172377437
6-Methyl-1-propyl-1,2,3,4-tetrahydropyridine-2,4-dione
CID 66490089
7-Acetylbenzo[a]quinolizin-6-one
CID 132564755

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1,6-dimethylpyridin-2-one?
The IUPAC name of 3-acetyl-1,6-dimethylpyridin-2-one (CID 82064508) is 3-acetyl-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 3-acetyl-1,6-dimethylpyridin-2-one?
The canonical SMILES for 3-acetyl-1,6-dimethylpyridin-2-one is CC(=O)c1ccc(C)n(C)c1=O.
What is the InChIKey of 3-acetyl-1,6-dimethylpyridin-2-one?
The InChIKey is NKTYCSDMSWJAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6-4-5-8(7(2)11)9(12)10(6)3/h4-5H,1-3H3.
What are the key properties of 3-acetyl-1,6-dimethylpyridin-2-one?
3-acetyl-1,6-dimethylpyridin-2-one has a molecular weight of 165.19 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 82064508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).