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

C13H15NO — CID 91446287

IUPAC1-benzyl-5-methyl-2,4-dihydropyridin-3-one
SMILESCC1=CN(Cc2ccccc2)CC(=O)C1
InChIInChI=1S/C13H15NO/c1-11-7-13(15)10-14(8-11)9-12-5-3-2-4-6-12/h2-6,8H,7,9-10H2,1H3
InChIKeyLCGRCQCATJDGHX-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.37
Rot. Bonds2

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

1-benzyl-5-methyl-2,4-dihydropyridin-3-one (PubChem CID 91446287) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-benzyl-5-methyl-2,4-dihydropyridin-3-one.

Molecular Properties

Compound Name1-benzyl-5-methyl-2,4-dihydropyridin-3-one
PubChem CID91446287
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-benzyl-5-methyl-2,4-dihydropyridin-3-one
SMILESCC1=CN(Cc2ccccc2)CC(=O)C1
InChIInChI=1S/C13H15NO/c1-11-7-13(15)10-14(8-11)9-12-5-3-2-4-6-12/h2-6,8H,7,9-10H2,1H3
InChIKeyLCGRCQCATJDGHX-UHFFFAOYSA-N
XLogP2.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3,5-dimethyl-2H-pyridine
CID 152701817
1-benzyl-2,4-dihydropyridin-3-one
CID 19761155
methyl 3-[(1-benzyl-3-oxo-2,4-dihydropyridin-5-yl)amino]-2-bromobenzoate
CID 91069564
1-benzyl-5-methyl-2H-pyridine
CID 15225953
1-benzyl-3-methyl-4,5-dihydroimidazol-3-ium
CID 22044317
(5R,6S)-1-benzyl-5,6-dimethylpiperidin-3-one
CID 124709041
5-benzyl-7-methyl-4H-[1,3]oxazolo[5,4-c]pyridine-2-carboxylic acid
CID 22320574
2-benzyl-1,2-thiazolidin-4-one
CID 134182902
1-benzyl-2-methylpyrimidine-4,6-dione
CID 58806166
1-benzyl-4-ethyl-3-methyl-2H-pyrrol-5-one
CID 155936663
1-benzyl-2H-pyridine-3-carboxylic acid
CID 18410440
2-benzyl-4-phenyl-1H-isoquinoline
CID 101006090

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methyl-2,4-dihydropyridin-3-one?
The IUPAC name of 1-benzyl-5-methyl-2,4-dihydropyridin-3-one (CID 91446287) is 1-benzyl-5-methyl-2,4-dihydropyridin-3-one.
What is the SMILES notation for 1-benzyl-5-methyl-2,4-dihydropyridin-3-one?
The canonical SMILES for 1-benzyl-5-methyl-2,4-dihydropyridin-3-one is CC1=CN(Cc2ccccc2)CC(=O)C1.
What is the InChIKey of 1-benzyl-5-methyl-2,4-dihydropyridin-3-one?
The InChIKey is LCGRCQCATJDGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-11-7-13(15)10-14(8-11)9-12-5-3-2-4-6-12/h2-6,8H,7,9-10H2,1H3.
What are the key properties of 1-benzyl-5-methyl-2,4-dihydropyridin-3-one?
1-benzyl-5-methyl-2,4-dihydropyridin-3-one has a molecular weight of 201.27 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-methyl-2,4-dihydropyridin-3-one is sourced from PubChem (CID 91446287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).