2-benzyl-2-methyl-5-phenyl-1,3-dihydropyridin-4-one

C19H19NO — CID 604193

IUPAC2-benzyl-2-methyl-5-phenyl-1,3-dihydropyridin-4-one
SMILESCC1(Cc2ccccc2)CC(=O)C(c2ccccc2)=CN1
InChIInChI=1S/C19H19NO/c1-19(12-15-8-4-2-5-9-15)13-18(21)17(14-20-19)16-10-6-3-7-11-16/h2-11,14,20H,12-13H2,1H3
InChIKeyVQYAZFUPWVQRLT-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.59
Rot. Bonds3

About 2-benzyl-2-methyl-5-phenyl-1,3-dihydropyridin-4-one

2-benzyl-2-methyl-5-phenyl-1,3-dihydropyridin-4-one (PubChem CID 604193) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-benzyl-2-methyl-5-phenyl-1,3-dihydropyridin-4-one.

Molecular Properties

Compound Name2-benzyl-2-methyl-5-phenyl-1,3-dihydropyridin-4-one
PubChem CID604193
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name2-benzyl-2-methyl-5-phenyl-1,3-dihydropyridin-4-one
SMILESCC1(Cc2ccccc2)CC(=O)C(c2ccccc2)=CN1
InChIInChI=1S/C19H19NO/c1-19(12-15-8-4-2-5-9-15)13-18(21)17(14-20-19)16-10-6-3-7-11-16/h2-11,14,20H,12-13H2,1H3
InChIKeyVQYAZFUPWVQRLT-UHFFFAOYSA-N
XLogP3.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-methyl-5-phenyl-1,3-dihydropyridin-4-one?
The IUPAC name of 2-benzyl-2-methyl-5-phenyl-1,3-dihydropyridin-4-one (CID 604193) is 2-benzyl-2-methyl-5-phenyl-1,3-dihydropyridin-4-one.
What is the SMILES notation for 2-benzyl-2-methyl-5-phenyl-1,3-dihydropyridin-4-one?
The canonical SMILES for 2-benzyl-2-methyl-5-phenyl-1,3-dihydropyridin-4-one is CC1(Cc2ccccc2)CC(=O)C(c2ccccc2)=CN1.
What is the InChIKey of 2-benzyl-2-methyl-5-phenyl-1,3-dihydropyridin-4-one?
The InChIKey is VQYAZFUPWVQRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-19(12-15-8-4-2-5-9-15)13-18(21)17(14-20-19)16-10-6-3-7-11-16/h2-11,14,20H,12-13H2,1H3.
What are the key properties of 2-benzyl-2-methyl-5-phenyl-1,3-dihydropyridin-4-one?
2-benzyl-2-methyl-5-phenyl-1,3-dihydropyridin-4-one has a molecular weight of 277.37 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-methyl-5-phenyl-1,3-dihydropyridin-4-one is sourced from PubChem (CID 604193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).