3-ethoxy-2-ethyl-1-methylpyridin-4-one

C10H15NO2 — CID 118488332

IUPAC3-ethoxy-2-ethyl-1-methylpyridin-4-one
SMILESCCOc1c(CC)n(C)ccc1=O
InChIInChI=1S/C10H15NO2/c1-4-8-10(13-5-2)9(12)6-7-11(8)3/h6-7H,4-5H2,1-3H3
InChIKeyAMXQFMNPRPKQCF-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.35
Rot. Bonds3

About 3-ethoxy-2-ethyl-1-methylpyridin-4-one

3-ethoxy-2-ethyl-1-methylpyridin-4-one (PubChem CID 118488332) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-ethoxy-2-ethyl-1-methylpyridin-4-one.

Molecular Properties

Compound Name3-ethoxy-2-ethyl-1-methylpyridin-4-one
PubChem CID118488332
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-ethoxy-2-ethyl-1-methylpyridin-4-one
SMILESCCOc1c(CC)n(C)ccc1=O
InChIInChI=1S/C10H15NO2/c1-4-8-10(13-5-2)9(12)6-7-11(8)3/h6-7H,4-5H2,1-3H3
InChIKeyAMXQFMNPRPKQCF-UHFFFAOYSA-N
XLogP1.35
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-ethoxy-2-ethyl-1-methylpyridin-4-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 3-ethoxy-2-ethyl-1-methylpyridin-4-one?
The IUPAC name of 3-ethoxy-2-ethyl-1-methylpyridin-4-one (CID 118488332) is 3-ethoxy-2-ethyl-1-methylpyridin-4-one.
What is the SMILES notation for 3-ethoxy-2-ethyl-1-methylpyridin-4-one?
The canonical SMILES for 3-ethoxy-2-ethyl-1-methylpyridin-4-one is CCOc1c(CC)n(C)ccc1=O.
What is the InChIKey of 3-ethoxy-2-ethyl-1-methylpyridin-4-one?
The InChIKey is AMXQFMNPRPKQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-8-10(13-5-2)9(12)6-7-11(8)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 3-ethoxy-2-ethyl-1-methylpyridin-4-one?
3-ethoxy-2-ethyl-1-methylpyridin-4-one has a molecular weight of 181.23 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-ethyl-1-methylpyridin-4-one is sourced from PubChem (CID 118488332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).