3-benzyl-5-methyl-1H-pyridine-2,4-dione

C13H13NO2 — CID 139264042

IUPAC3-benzyl-5-methyl-1H-pyridine-2,4-dione
SMILESCC1=CNC(=O)C(Cc2ccccc2)C1=O
InChIInChI=1S/C13H13NO2/c1-9-8-14-13(16)11(12(9)15)7-10-5-3-2-4-6-10/h2-6,8,11H,7H2,1H3,(H,14,16)
InChIKeyGSVSCZQHKRBRIP-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.45
Rot. Bonds2

About 3-benzyl-5-methyl-1H-pyridine-2,4-dione

3-benzyl-5-methyl-1H-pyridine-2,4-dione (PubChem CID 139264042) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-benzyl-5-methyl-1H-pyridine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-5-methyl-1H-pyridine-2,4-dione
PubChem CID139264042
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name3-benzyl-5-methyl-1H-pyridine-2,4-dione
SMILESCC1=CNC(=O)C(Cc2ccccc2)C1=O
InChIInChI=1S/C13H13NO2/c1-9-8-14-13(16)11(12(9)15)7-10-5-3-2-4-6-10/h2-6,8,11H,7H2,1H3,(H,14,16)
InChIKeyGSVSCZQHKRBRIP-UHFFFAOYSA-N
XLogP1.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-methyl-1H-pyridine-2,4-dione?
The IUPAC name of 3-benzyl-5-methyl-1H-pyridine-2,4-dione (CID 139264042) is 3-benzyl-5-methyl-1H-pyridine-2,4-dione.
What is the SMILES notation for 3-benzyl-5-methyl-1H-pyridine-2,4-dione?
The canonical SMILES for 3-benzyl-5-methyl-1H-pyridine-2,4-dione is CC1=CNC(=O)C(Cc2ccccc2)C1=O.
What is the InChIKey of 3-benzyl-5-methyl-1H-pyridine-2,4-dione?
The InChIKey is GSVSCZQHKRBRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-9-8-14-13(16)11(12(9)15)7-10-5-3-2-4-6-10/h2-6,8,11H,7H2,1H3,(H,14,16).
What are the key properties of 3-benzyl-5-methyl-1H-pyridine-2,4-dione?
3-benzyl-5-methyl-1H-pyridine-2,4-dione has a molecular weight of 215.25 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-methyl-1H-pyridine-2,4-dione is sourced from PubChem (CID 139264042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).