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

C17H19NO2 — CID 82520107

IUPAC3-acetyl-6-(3,4-dimethylphenyl)-1-ethylpyridin-2-one
SMILESCCn1c(-c2ccc(C)c(C)c2)ccc(C(C)=O)c1=O
InChIInChI=1S/C17H19NO2/c1-5-18-16(9-8-15(13(4)19)17(18)20)14-7-6-11(2)12(3)10-14/h6-10H,5H2,1-4H3
InChIKeyCKADLOGXFKPXQY-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.35
Rot. Bonds3

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

3-acetyl-6-(3,4-dimethylphenyl)-1-ethylpyridin-2-one (PubChem CID 82520107) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-acetyl-6-(3,4-dimethylphenyl)-1-ethylpyridin-2-one.

Molecular Properties

Compound Name3-acetyl-6-(3,4-dimethylphenyl)-1-ethylpyridin-2-one
PubChem CID82520107
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name3-acetyl-6-(3,4-dimethylphenyl)-1-ethylpyridin-2-one
SMILESCCn1c(-c2ccc(C)c(C)c2)ccc(C(C)=O)c1=O
InChIInChI=1S/C17H19NO2/c1-5-18-16(9-8-15(13(4)19)17(18)20)14-7-6-11(2)12(3)10-14/h6-10H,5H2,1-4H3
InChIKeyCKADLOGXFKPXQY-UHFFFAOYSA-N
XLogP3.35
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.35
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-ethylpyridin-2-one?
The IUPAC name of 3-acetyl-6-(3,4-dimethylphenyl)-1-ethylpyridin-2-one (CID 82520107) is 3-acetyl-6-(3,4-dimethylphenyl)-1-ethylpyridin-2-one.
What is the SMILES notation for 3-acetyl-6-(3,4-dimethylphenyl)-1-ethylpyridin-2-one?
The canonical SMILES for 3-acetyl-6-(3,4-dimethylphenyl)-1-ethylpyridin-2-one is CCn1c(-c2ccc(C)c(C)c2)ccc(C(C)=O)c1=O.
What is the InChIKey of 3-acetyl-6-(3,4-dimethylphenyl)-1-ethylpyridin-2-one?
The InChIKey is CKADLOGXFKPXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-5-18-16(9-8-15(13(4)19)17(18)20)14-7-6-11(2)12(3)10-14/h6-10H,5H2,1-4H3.
What are the key properties of 3-acetyl-6-(3,4-dimethylphenyl)-1-ethylpyridin-2-one?
3-acetyl-6-(3,4-dimethylphenyl)-1-ethylpyridin-2-one has a molecular weight of 269.34 g/mol, XLogP of 3.35, 3 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-ethylpyridin-2-one is sourced from PubChem (CID 82520107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).