1-benzyl-2-(4-methylphenyl)-2,3-dihydropyridin-4-one

C19H19NO — CID 10956806

IUPAC1-benzyl-2-(4-methylphenyl)-2,3-dihydropyridin-4-one
SMILESCc1ccc(C2CC(=O)C=CN2Cc2ccccc2)cc1
InChIInChI=1S/C19H19NO/c1-15-7-9-17(10-8-15)19-13-18(21)11-12-20(19)14-16-5-3-2-4-6-16/h2-12,19H,13-14H2,1H3
InChIKeyFKEMNTZGSZCGAC-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.02
Rot. Bonds3

About 1-benzyl-2-(4-methylphenyl)-2,3-dihydropyridin-4-one

1-benzyl-2-(4-methylphenyl)-2,3-dihydropyridin-4-one (PubChem CID 10956806) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-benzyl-2-(4-methylphenyl)-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name1-benzyl-2-(4-methylphenyl)-2,3-dihydropyridin-4-one
PubChem CID10956806
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name1-benzyl-2-(4-methylphenyl)-2,3-dihydropyridin-4-one
SMILESCc1ccc(C2CC(=O)C=CN2Cc2ccccc2)cc1
InChIInChI=1S/C19H19NO/c1-15-7-9-17(10-8-15)19-13-18(21)11-12-20(19)14-16-5-3-2-4-6-16/h2-12,19H,13-14H2,1H3
InChIKeyFKEMNTZGSZCGAC-UHFFFAOYSA-N
XLogP4.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-2-propan-2-yl-2,3-dihydropyridin-4-one
CID 12787406
1-benzyl-2-(4-methoxyphenyl)-5-(4-methylphenyl)-2,3-dihydropyridin-4-one
CID 56588373
(2R)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydropyridin-4-one
CID 100967043
2-benzyl-1-propyl-2,3-dihydropyridin-4-one;ethane
CID 144683049
(2S)-1-benzyl-2-(4-methylphenyl)-3-[(Z)-1-phenylethylideneamino]imidazolidin-4-one
CID 5456799
1-benzyl-4-phenylazetidin-2-one;ethane
CID 91301101
(2S)-1-benzyl-2-[(1S)-1,2-bis(phenylmethoxy)ethyl]-2,3-dihydropyridin-4-one
CID 15310236
1-benzyl-3-hydroxy-4-(4-methylphenyl)azetidin-2-one
CID 91824522
2-(4-methylphenyl)-N-(2-phenylethyl)azepane-1-carboxamide
CID 53013117
1-[(4-methylphenyl)methyl]-4-phenylpyrrolidin-2-one
CID 155799488
1-benzyl-3,3-difluoro-4-(4-methylphenyl)pyrrolidine
CID 122380731
4-(4-methylphenyl)-1-(2-phenylethyl)piperidine-2,6-dione
CID 46298395

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(4-methylphenyl)-2,3-dihydropyridin-4-one?
The IUPAC name of 1-benzyl-2-(4-methylphenyl)-2,3-dihydropyridin-4-one (CID 10956806) is 1-benzyl-2-(4-methylphenyl)-2,3-dihydropyridin-4-one.
What is the SMILES notation for 1-benzyl-2-(4-methylphenyl)-2,3-dihydropyridin-4-one?
The canonical SMILES for 1-benzyl-2-(4-methylphenyl)-2,3-dihydropyridin-4-one is Cc1ccc(C2CC(=O)C=CN2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-2-(4-methylphenyl)-2,3-dihydropyridin-4-one?
The InChIKey is FKEMNTZGSZCGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-15-7-9-17(10-8-15)19-13-18(21)11-12-20(19)14-16-5-3-2-4-6-16/h2-12,19H,13-14H2,1H3.
What are the key properties of 1-benzyl-2-(4-methylphenyl)-2,3-dihydropyridin-4-one?
1-benzyl-2-(4-methylphenyl)-2,3-dihydropyridin-4-one has a molecular weight of 277.37 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(4-methylphenyl)-2,3-dihydropyridin-4-one is sourced from PubChem (CID 10956806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).