3-benzyl-1-hydroxy-4-methylpyridin-2-one

C13H13NO2 — CID 118717070

IUPAC3-benzyl-1-hydroxy-4-methylpyridin-2-one
SMILESCc1ccn(O)c(=O)c1Cc1ccccc1
InChIInChI=1S/C13H13NO2/c1-10-7-8-14(16)13(15)12(10)9-11-5-3-2-4-6-11/h2-8,16H,9H2,1H3
InChIKeyHBFPRVMEMDHUTD-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.98
Rot. Bonds2

About 3-benzyl-1-hydroxy-4-methylpyridin-2-one

3-benzyl-1-hydroxy-4-methylpyridin-2-one (PubChem CID 118717070) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-benzyl-1-hydroxy-4-methylpyridin-2-one.

Molecular Properties

Compound Name3-benzyl-1-hydroxy-4-methylpyridin-2-one
PubChem CID118717070
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name3-benzyl-1-hydroxy-4-methylpyridin-2-one
SMILESCc1ccn(O)c(=O)c1Cc1ccccc1
InChIInChI=1S/C13H13NO2/c1-10-7-8-14(16)13(15)12(10)9-11-5-3-2-4-6-11/h2-8,16H,9H2,1H3
InChIKeyHBFPRVMEMDHUTD-UHFFFAOYSA-N
XLogP1.98
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-hydroxy-4-methylpyridin-2-one?
The IUPAC name of 3-benzyl-1-hydroxy-4-methylpyridin-2-one (CID 118717070) is 3-benzyl-1-hydroxy-4-methylpyridin-2-one.
What is the SMILES notation for 3-benzyl-1-hydroxy-4-methylpyridin-2-one?
The canonical SMILES for 3-benzyl-1-hydroxy-4-methylpyridin-2-one is Cc1ccn(O)c(=O)c1Cc1ccccc1.
What is the InChIKey of 3-benzyl-1-hydroxy-4-methylpyridin-2-one?
The InChIKey is HBFPRVMEMDHUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-10-7-8-14(16)13(15)12(10)9-11-5-3-2-4-6-11/h2-8,16H,9H2,1H3.
What are the key properties of 3-benzyl-1-hydroxy-4-methylpyridin-2-one?
3-benzyl-1-hydroxy-4-methylpyridin-2-one has a molecular weight of 215.25 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-hydroxy-4-methylpyridin-2-one is sourced from PubChem (CID 118717070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).