1-benzyl-6-methylpyridine-2,4-dione

C13H13NO2 — CID 43839757

IUPAC1-benzyl-6-methylpyridine-2,4-dione
SMILESCC1=CC(=O)CC(=O)N1Cc1ccccc1
InChIInChI=1S/C13H13NO2/c1-10-7-12(15)8-13(16)14(10)9-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3
InChIKeyJBJKYANBIQOAGK-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.89
Rot. Bonds2

About 1-benzyl-6-methylpyridine-2,4-dione

1-benzyl-6-methylpyridine-2,4-dione (PubChem CID 43839757) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-benzyl-6-methylpyridine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-6-methylpyridine-2,4-dione
PubChem CID43839757
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-benzyl-6-methylpyridine-2,4-dione
SMILESCC1=CC(=O)CC(=O)N1Cc1ccccc1
InChIInChI=1S/C13H13NO2/c1-10-7-12(15)8-13(16)14(10)9-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3
InChIKeyJBJKYANBIQOAGK-UHFFFAOYSA-N
XLogP1.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-4-hydroxy-6-methylpyridin-2(1H)-one
CID 54678659
Acetoacetobenzylamide
CID 70159
1-benzyl-N-methyl-2-oxopyridine-3-carboxamide
CID 48157449
1-Methyl-7-Phenyl-2,3,4,6-Tetrahydro-1,6-Naphthyridin-5(1h)-One
CID 90202994
1-Benzylpiperidine-2,4-dione
CID 22495541
1-Benzyl-1,2-dihydropyridin-2-one
CID 244078
1-Benzyl-4-hexylpyridin-2-one
CID 121493777
N-benzyl-1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide
CID 23588031
n3-(Cyclohexyl)-4-oxo-1-pentyl-6-phenyl-1,4-dihydropyridine-3-carboxamide
CID 49820013
3-Acetyl-1-benzyl-4-hydroxy-6-methylpyridin-2(1H)-one
CID 54677461
1-benzyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126675255
1-Methyl-2,6-diphenylpyridin-4(1h)-one
CID 292247

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-methylpyridine-2,4-dione?
The IUPAC name of 1-benzyl-6-methylpyridine-2,4-dione (CID 43839757) is 1-benzyl-6-methylpyridine-2,4-dione.
What is the SMILES notation for 1-benzyl-6-methylpyridine-2,4-dione?
The canonical SMILES for 1-benzyl-6-methylpyridine-2,4-dione is CC1=CC(=O)CC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-methylpyridine-2,4-dione?
The InChIKey is JBJKYANBIQOAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-10-7-12(15)8-13(16)14(10)9-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3.
What are the key properties of 1-benzyl-6-methylpyridine-2,4-dione?
1-benzyl-6-methylpyridine-2,4-dione has a molecular weight of 215.25 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-methylpyridine-2,4-dione is sourced from PubChem (CID 43839757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).