1-hydroxy-6-(2-phenylethyl)pyridin-2-one

C13H13NO2 — CID 118717067

IUPAC1-hydroxy-6-(2-phenylethyl)pyridin-2-one
SMILESO=c1cccc(CCc2ccccc2)n1O
InChIInChI=1S/C13H13NO2/c15-13-8-4-7-12(14(13)16)10-9-11-5-2-1-3-6-11/h1-8,16H,9-10H2
InChIKeyOZDVDDPBEQPALU-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.87
Rot. Bonds3

About 1-hydroxy-6-(2-phenylethyl)pyridin-2-one

1-hydroxy-6-(2-phenylethyl)pyridin-2-one (PubChem CID 118717067) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-hydroxy-6-(2-phenylethyl)pyridin-2-one.

Molecular Properties

Compound Name1-hydroxy-6-(2-phenylethyl)pyridin-2-one
PubChem CID118717067
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-hydroxy-6-(2-phenylethyl)pyridin-2-one
SMILESO=c1cccc(CCc2ccccc2)n1O
InChIInChI=1S/C13H13NO2/c15-13-8-4-7-12(14(13)16)10-9-11-5-2-1-3-6-11/h1-8,16H,9-10H2
InChIKeyOZDVDDPBEQPALU-UHFFFAOYSA-N
XLogP1.87
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.87
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 1-hydroxy-6-(2-phenylethyl)pyridin-2-one?
The IUPAC name of 1-hydroxy-6-(2-phenylethyl)pyridin-2-one (CID 118717067) is 1-hydroxy-6-(2-phenylethyl)pyridin-2-one.
What is the SMILES notation for 1-hydroxy-6-(2-phenylethyl)pyridin-2-one?
The canonical SMILES for 1-hydroxy-6-(2-phenylethyl)pyridin-2-one is O=c1cccc(CCc2ccccc2)n1O.
What is the InChIKey of 1-hydroxy-6-(2-phenylethyl)pyridin-2-one?
The InChIKey is OZDVDDPBEQPALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c15-13-8-4-7-12(14(13)16)10-9-11-5-2-1-3-6-11/h1-8,16H,9-10H2.
What are the key properties of 1-hydroxy-6-(2-phenylethyl)pyridin-2-one?
1-hydroxy-6-(2-phenylethyl)pyridin-2-one has a molecular weight of 215.25 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-(2-phenylethyl)pyridin-2-one is sourced from PubChem (CID 118717067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).