1-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-one

C15H17NO — CID 115614095

IUPAC1-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-one
SMILESCc1ccc(C)c(Cn2ccc(C)cc2=O)c1
InChIInChI=1S/C15H17NO/c1-11-4-5-13(3)14(8-11)10-16-7-6-12(2)9-15(16)17/h4-9H,10H2,1-3H3
InChIKeyFAVLCYKYPCHULI-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.82
Rot. Bonds2

About 1-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-one

1-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-one (PubChem CID 115614095) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-one
PubChem CID115614095
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name1-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-one
SMILESCc1ccc(C)c(Cn2ccc(C)cc2=O)c1
InChIInChI=1S/C15H17NO/c1-11-4-5-13(3)14(8-11)10-16-7-6-12(2)9-15(16)17/h4-9H,10H2,1-3H3
InChIKeyFAVLCYKYPCHULI-UHFFFAOYSA-N
XLogP2.82
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-aminophenyl)methyl]-4-methylpyridin-2-one
CID 62962115
1-[(2,5-dimethylphenyl)methyl]pyrimidin-2-one
CID 115590410
1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpyridin-2-one
CID 115614073
1-[(4-aminophenyl)methyl]-4-methylpyridin-2-one
CID 62962113
1-[(2,5-dimethylphenyl)methyl]pyrrole-2-carbaldehyde
CID 66408774
2-[4-[(4-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetic acid
CID 68750620
[5-fluoro-2-[(4-methyl-2-oxo-1-pyridinyl)methyl]phenyl]boronic acid
CID 55153686
1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylpyridin-2-one
CID 62962293
4-methyl-1-[2-(methylamino)ethyl]pyridin-2-one
CID 62962145
1-[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]ethanone
CID 79106592
1-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-4-methylpyridin-2-one
CID 62962137
3-bromo-4-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoic acid
CID 102766201

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-one?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-one (CID 115614095) is 1-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-one.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-one?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-one is Cc1ccc(C)c(Cn2ccc(C)cc2=O)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-one?
The InChIKey is FAVLCYKYPCHULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-11-4-5-13(3)14(8-11)10-16-7-6-12(2)9-15(16)17/h4-9H,10H2,1-3H3.
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-one?
1-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-one has a molecular weight of 227.31 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-one is sourced from PubChem (CID 115614095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).