1-(2-hydroxy-1-methoxyethyl)-3-methylpyridin-2-one

C9H13NO3 — CID 134277971

IUPAC1-(2-hydroxy-1-methoxyethyl)-3-methylpyridin-2-one
SMILESCOC(CO)n1cccc(C)c1=O
InChIInChI=1S/C9H13NO3/c1-7-4-3-5-10(9(7)12)8(6-11)13-2/h3-5,8,11H,6H2,1-2H3
InChIKeyKXPYLBIJVXAQDW-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.29
Rot. Bonds3

About 1-(2-hydroxy-1-methoxyethyl)-3-methylpyridin-2-one

1-(2-hydroxy-1-methoxyethyl)-3-methylpyridin-2-one (PubChem CID 134277971) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-(2-hydroxy-1-methoxyethyl)-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-(2-hydroxy-1-methoxyethyl)-3-methylpyridin-2-one
PubChem CID134277971
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name1-(2-hydroxy-1-methoxyethyl)-3-methylpyridin-2-one
SMILESCOC(CO)n1cccc(C)c1=O
InChIInChI=1S/C9H13NO3/c1-7-4-3-5-10(9(7)12)8(6-11)13-2/h3-5,8,11H,6H2,1-2H3
InChIKeyKXPYLBIJVXAQDW-UHFFFAOYSA-N
XLogP0.29
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-hydroxy-1-methoxyethyl)-3-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1-methoxyethyl)-3-methylpyridin-2-one?
The IUPAC name of 1-(2-hydroxy-1-methoxyethyl)-3-methylpyridin-2-one (CID 134277971) is 1-(2-hydroxy-1-methoxyethyl)-3-methylpyridin-2-one.
What is the SMILES notation for 1-(2-hydroxy-1-methoxyethyl)-3-methylpyridin-2-one?
The canonical SMILES for 1-(2-hydroxy-1-methoxyethyl)-3-methylpyridin-2-one is COC(CO)n1cccc(C)c1=O.
What is the InChIKey of 1-(2-hydroxy-1-methoxyethyl)-3-methylpyridin-2-one?
The InChIKey is KXPYLBIJVXAQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-7-4-3-5-10(9(7)12)8(6-11)13-2/h3-5,8,11H,6H2,1-2H3.
What are the key properties of 1-(2-hydroxy-1-methoxyethyl)-3-methylpyridin-2-one?
1-(2-hydroxy-1-methoxyethyl)-3-methylpyridin-2-one has a molecular weight of 183.21 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1-methoxyethyl)-3-methylpyridin-2-one is sourced from PubChem (CID 134277971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).