1-(ethoxymethyl)-4-hydroxy-5-methylpyridin-2-one

C9H13NO3 — CID 57252226

IUPAC1-(ethoxymethyl)-4-hydroxy-5-methylpyridin-2-one
SMILESCCOCn1cc(C)c(O)cc1=O
InChIInChI=1S/C9H13NO3/c1-3-13-6-10-5-7(2)8(11)4-9(10)12/h4-5,11H,3,6H2,1-2H3
InChIKeyPXOQWSQZHSHAKA-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.86
Rot. Bonds3

About 1-(ethoxymethyl)-4-hydroxy-5-methylpyridin-2-one

1-(ethoxymethyl)-4-hydroxy-5-methylpyridin-2-one (PubChem CID 57252226) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-(ethoxymethyl)-4-hydroxy-5-methylpyridin-2-one.

Molecular Properties

Compound Name1-(ethoxymethyl)-4-hydroxy-5-methylpyridin-2-one
PubChem CID57252226
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name1-(ethoxymethyl)-4-hydroxy-5-methylpyridin-2-one
SMILESCCOCn1cc(C)c(O)cc1=O
InChIInChI=1S/C9H13NO3/c1-3-13-6-10-5-7(2)8(11)4-9(10)12/h4-5,11H,3,6H2,1-2H3
InChIKeyPXOQWSQZHSHAKA-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(ethoxymethyl)-4-hydroxy-5-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-(ethoxymethyl)-4-hydroxy-5-methylpyridin-2-one?
The IUPAC name of 1-(ethoxymethyl)-4-hydroxy-5-methylpyridin-2-one (CID 57252226) is 1-(ethoxymethyl)-4-hydroxy-5-methylpyridin-2-one.
What is the SMILES notation for 1-(ethoxymethyl)-4-hydroxy-5-methylpyridin-2-one?
The canonical SMILES for 1-(ethoxymethyl)-4-hydroxy-5-methylpyridin-2-one is CCOCn1cc(C)c(O)cc1=O.
What is the InChIKey of 1-(ethoxymethyl)-4-hydroxy-5-methylpyridin-2-one?
The InChIKey is PXOQWSQZHSHAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-3-13-6-10-5-7(2)8(11)4-9(10)12/h4-5,11H,3,6H2,1-2H3.
What are the key properties of 1-(ethoxymethyl)-4-hydroxy-5-methylpyridin-2-one?
1-(ethoxymethyl)-4-hydroxy-5-methylpyridin-2-one has a molecular weight of 183.21 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-4-hydroxy-5-methylpyridin-2-one is sourced from PubChem (CID 57252226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).