5-benzyl-1-hydroxypyridin-2-one

C12H11NO2 — CID 58171335

IUPAC5-benzyl-1-hydroxypyridin-2-one
SMILESO=c1ccc(Cc2ccccc2)cn1O
InChIInChI=1S/C12H11NO2/c14-12-7-6-11(9-13(12)15)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2
InChIKeyYMBPJABOBPLYAC-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.68
Rot. Bonds2

About 5-benzyl-1-hydroxypyridin-2-one

5-benzyl-1-hydroxypyridin-2-one (PubChem CID 58171335) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 5-benzyl-1-hydroxypyridin-2-one.

Molecular Properties

Compound Name5-benzyl-1-hydroxypyridin-2-one
PubChem CID58171335
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name5-benzyl-1-hydroxypyridin-2-one
SMILESO=c1ccc(Cc2ccccc2)cn1O
InChIInChI=1S/C12H11NO2/c14-12-7-6-11(9-13(12)15)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2
InChIKeyYMBPJABOBPLYAC-UHFFFAOYSA-N
XLogP1.68
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.68
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 5-benzyl-1-hydroxypyridin-2-one?
The IUPAC name of 5-benzyl-1-hydroxypyridin-2-one (CID 58171335) is 5-benzyl-1-hydroxypyridin-2-one.
What is the SMILES notation for 5-benzyl-1-hydroxypyridin-2-one?
The canonical SMILES for 5-benzyl-1-hydroxypyridin-2-one is O=c1ccc(Cc2ccccc2)cn1O.
What is the InChIKey of 5-benzyl-1-hydroxypyridin-2-one?
The InChIKey is YMBPJABOBPLYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-12-7-6-11(9-13(12)15)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2.
What are the key properties of 5-benzyl-1-hydroxypyridin-2-one?
5-benzyl-1-hydroxypyridin-2-one has a molecular weight of 201.22 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-hydroxypyridin-2-one is sourced from PubChem (CID 58171335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).