3-acetyl-4,5-dimethyl-1H-pyridin-2-one

C9H11NO2 — CID 14841769

IUPAC3-acetyl-4,5-dimethyl-1H-pyridin-2-one
SMILESCC(=O)c1c(C)c(C)c[nH]c1=O
InChIInChI=1S/C9H11NO2/c1-5-4-10-9(12)8(6(5)2)7(3)11/h4H,1-3H3,(H,10,12)
InChIKeyZZWIFFNHTJERSH-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.19
Rot. Bonds1

About 3-acetyl-4,5-dimethyl-1H-pyridin-2-one

3-acetyl-4,5-dimethyl-1H-pyridin-2-one (PubChem CID 14841769) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 3-acetyl-4,5-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-acetyl-4,5-dimethyl-1H-pyridin-2-one
PubChem CID14841769
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name3-acetyl-4,5-dimethyl-1H-pyridin-2-one
SMILESCC(=O)c1c(C)c(C)c[nH]c1=O
InChIInChI=1S/C9H11NO2/c1-5-4-10-9(12)8(6(5)2)7(3)11/h4H,1-3H3,(H,10,12)
InChIKeyZZWIFFNHTJERSH-UHFFFAOYSA-N
XLogP1.19
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4,5-dimethyl-1H-pyridin-2-one
CID 151411047
1-(4-methyl-2-methylsulfanyl-1H-pyrrol-3-yl)ethanone
CID 12858695
3,5-diacetyl-4,6-dimethyl-1H-pyridin-2-one
CID 15555017
ethane;1-(2,3,6-trimethylphenyl)ethanone
CID 155747845
bis(3,4-dimethyl-1H-pyrrol-2-yl)methanone
CID 119030521
2-acetyl-3-methylcycloprop-2-en-1-one
CID 164818342
acetic acid;3,4-dimethyl-1H-pyrrole-2-carbaldehyde
CID 142153263
3-acetyl-4-methyl-1H-quinolin-2-one
CID 102153269
2-(4-amino-5-methyl-2-oxo-1H-pyridin-3-yl)-2-iminoacetamide
CID 155372682
1-(6-ethyl-2,3,4-trimethylphenyl)ethanone
CID 134554334
1-(2-acetyl-3,4-dimethylphenyl)ethanone;methane
CID 175205419
6-acetyl-5-methyl-2-sulfanylidene-1,8-dihydropyrido[2,3-d]pyrimidin-7-one
CID 155712634

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4,5-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-acetyl-4,5-dimethyl-1H-pyridin-2-one (CID 14841769) is 3-acetyl-4,5-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-acetyl-4,5-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-acetyl-4,5-dimethyl-1H-pyridin-2-one is CC(=O)c1c(C)c(C)c[nH]c1=O.
What is the InChIKey of 3-acetyl-4,5-dimethyl-1H-pyridin-2-one?
The InChIKey is ZZWIFFNHTJERSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-5-4-10-9(12)8(6(5)2)7(3)11/h4H,1-3H3,(H,10,12).
What are the key properties of 3-acetyl-4,5-dimethyl-1H-pyridin-2-one?
3-acetyl-4,5-dimethyl-1H-pyridin-2-one has a molecular weight of 165.19 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4,5-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 14841769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).