3-acetyl-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one

C16H17NO2 — CID 82520130

IUPAC3-acetyl-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one
SMILESCC(=O)c1ccc(-c2ccc(C)c(C)c2)n(C)c1=O
InChIInChI=1S/C16H17NO2/c1-10-5-6-13(9-11(10)2)15-8-7-14(12(3)18)16(19)17(15)4/h5-9H,1-4H3
InChIKeyPAMLKZVLKFMXSX-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.87
Rot. Bonds2

About 3-acetyl-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one

3-acetyl-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one (PubChem CID 82520130) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-acetyl-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-acetyl-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one
PubChem CID82520130
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name3-acetyl-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one
SMILESCC(=O)c1ccc(-c2ccc(C)c(C)c2)n(C)c1=O
InChIInChI=1S/C16H17NO2/c1-10-5-6-13(9-11(10)2)15-8-7-14(12(3)18)16(19)17(15)4/h5-9H,1-4H3
InChIKeyPAMLKZVLKFMXSX-UHFFFAOYSA-N
XLogP2.87
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one?
The IUPAC name of 3-acetyl-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one (CID 82520130) is 3-acetyl-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one.
What is the SMILES notation for 3-acetyl-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one?
The canonical SMILES for 3-acetyl-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one is CC(=O)c1ccc(-c2ccc(C)c(C)c2)n(C)c1=O.
What is the InChIKey of 3-acetyl-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one?
The InChIKey is PAMLKZVLKFMXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-10-5-6-13(9-11(10)2)15-8-7-14(12(3)18)16(19)17(15)4/h5-9H,1-4H3.
What are the key properties of 3-acetyl-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one?
3-acetyl-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one has a molecular weight of 255.32 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one is sourced from PubChem (CID 82520130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).