1-ethyl-5-prop-2-enylpyridin-2-one

C10H13NO — CID 165139005

IUPAC1-ethyl-5-prop-2-enylpyridin-2-one
SMILESC=CCc1ccc(=O)n(CC)c1
InChIInChI=1S/C10H13NO/c1-3-5-9-6-7-10(12)11(4-2)8-9/h3,6-8H,1,4-5H2,2H3
InChIKeyUALRSITXPIDDQC-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.60
Rot. Bonds3

About 1-ethyl-5-prop-2-enylpyridin-2-one

1-ethyl-5-prop-2-enylpyridin-2-one (PubChem CID 165139005) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-ethyl-5-prop-2-enylpyridin-2-one.

Molecular Properties

Compound Name1-ethyl-5-prop-2-enylpyridin-2-one
PubChem CID165139005
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-ethyl-5-prop-2-enylpyridin-2-one
SMILESC=CCc1ccc(=O)n(CC)c1
InChIInChI=1S/C10H13NO/c1-3-5-9-6-7-10(12)11(4-2)8-9/h3,6-8H,1,4-5H2,2H3
InChIKeyUALRSITXPIDDQC-UHFFFAOYSA-N
XLogP1.60
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-ethyl-5-prop-2-enylpyridin-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-ethyl-5-prop-2-enylpyridin-2-one?
The IUPAC name of 1-ethyl-5-prop-2-enylpyridin-2-one (CID 165139005) is 1-ethyl-5-prop-2-enylpyridin-2-one.
What is the SMILES notation for 1-ethyl-5-prop-2-enylpyridin-2-one?
The canonical SMILES for 1-ethyl-5-prop-2-enylpyridin-2-one is C=CCc1ccc(=O)n(CC)c1.
What is the InChIKey of 1-ethyl-5-prop-2-enylpyridin-2-one?
The InChIKey is UALRSITXPIDDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-5-9-6-7-10(12)11(4-2)8-9/h3,6-8H,1,4-5H2,2H3.
What are the key properties of 1-ethyl-5-prop-2-enylpyridin-2-one?
1-ethyl-5-prop-2-enylpyridin-2-one has a molecular weight of 163.22 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-prop-2-enylpyridin-2-one is sourced from PubChem (CID 165139005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).