3-acetyl-1-methyl-5-phenylpyridin-2-one

C14H13NO2 — CID 24767090

IUPAC3-acetyl-1-methyl-5-phenylpyridin-2-one
SMILESCC(=O)c1cc(-c2ccccc2)cn(C)c1=O
InChIInChI=1S/C14H13NO2/c1-10(16)13-8-12(9-15(2)14(13)17)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyODCOTAUOJVHCND-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.25
Rot. Bonds2

About 3-acetyl-1-methyl-5-phenylpyridin-2-one

3-acetyl-1-methyl-5-phenylpyridin-2-one (PubChem CID 24767090) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-acetyl-1-methyl-5-phenylpyridin-2-one.

Molecular Properties

Compound Name3-acetyl-1-methyl-5-phenylpyridin-2-one
PubChem CID24767090
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name3-acetyl-1-methyl-5-phenylpyridin-2-one
SMILESCC(=O)c1cc(-c2ccccc2)cn(C)c1=O
InChIInChI=1S/C14H13NO2/c1-10(16)13-8-12(9-15(2)14(13)17)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyODCOTAUOJVHCND-UHFFFAOYSA-N
XLogP2.25
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-hydroxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid
CID 117222147
5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid
CID 117222176
3-acetyl-1-methylpyridin-2-one
CID 82527252
1-hydroxy-2-oxo-5-phenylpyridine-3-carboxylic acid
CID 11299201
acetic acid;1,1'-biphenyl;zinc
CID 70522083
2-(1-methyl-4-phenylpyrrol-2-yl)acetic acid
CID 86149877
1,2-dimethyl-4-phenylpyrrole
CID 44718288
1-methyl-2-oxo-N-(3-propan-2-ylphenyl)-5-pyridin-4-ylpyridine-3-carboxamide
CID 58692619
1-[2-methyl-4-(4-phenylphenyl)phenyl]ethanone
CID 20716213
acetic acid;1,1'-biphenyl;ethane
CID 91464981
acetic acid;1-iodosyl-4-phenylbenzene
CID 160591801
1,1'-biphenyl;ethane;bis(1-phenylethanone)
CID 90714339

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-methyl-5-phenylpyridin-2-one?
The IUPAC name of 3-acetyl-1-methyl-5-phenylpyridin-2-one (CID 24767090) is 3-acetyl-1-methyl-5-phenylpyridin-2-one.
What is the SMILES notation for 3-acetyl-1-methyl-5-phenylpyridin-2-one?
The canonical SMILES for 3-acetyl-1-methyl-5-phenylpyridin-2-one is CC(=O)c1cc(-c2ccccc2)cn(C)c1=O.
What is the InChIKey of 3-acetyl-1-methyl-5-phenylpyridin-2-one?
The InChIKey is ODCOTAUOJVHCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-10(16)13-8-12(9-15(2)14(13)17)11-6-4-3-5-7-11/h3-9H,1-2H3.
What are the key properties of 3-acetyl-1-methyl-5-phenylpyridin-2-one?
3-acetyl-1-methyl-5-phenylpyridin-2-one has a molecular weight of 227.26 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-methyl-5-phenylpyridin-2-one is sourced from PubChem (CID 24767090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).