1-[(E)-3-pyridin-2-ylprop-2-enoyl]-2,3-dihydropyridin-6-one

C13H12N2O2 — CID 71534930

IUPAC1-[(E)-3-pyridin-2-ylprop-2-enoyl]-2,3-dihydropyridin-6-one
SMILESO=C1C=CCCN1C(=O)/C=C/c1ccccn1
InChIInChI=1S/C13H12N2O2/c16-12-6-2-4-10-15(12)13(17)8-7-11-5-1-3-9-14-11/h1-3,5-9H,4,10H2/b8-7+
InChIKeyHYCQHEMRZICENW-BQYQJAHWSA-N
MW228.25 g/mol
LogP1.41
Rot. Bonds2

About 1-[(E)-3-pyridin-2-ylprop-2-enoyl]-2,3-dihydropyridin-6-one

1-[(E)-3-pyridin-2-ylprop-2-enoyl]-2,3-dihydropyridin-6-one (PubChem CID 71534930) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-[(E)-3-pyridin-2-ylprop-2-enoyl]-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-[(E)-3-pyridin-2-ylprop-2-enoyl]-2,3-dihydropyridin-6-one
PubChem CID71534930
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name1-[(E)-3-pyridin-2-ylprop-2-enoyl]-2,3-dihydropyridin-6-one
SMILESO=C1C=CCCN1C(=O)/C=C/c1ccccn1
InChIInChI=1S/C13H12N2O2/c16-12-6-2-4-10-15(12)13(17)8-7-11-5-1-3-9-14-11/h1-3,5-9H,4,10H2/b8-7+
InChIKeyHYCQHEMRZICENW-BQYQJAHWSA-N
XLogP1.41
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[(E)-3-pyridin-2-ylprop-2-enoyl]-2,3-dihydropyridin-6-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-[(E)-3-pyridin-2-ylprop-2-enoyl]-2,3-dihydropyridin-6-one?
The IUPAC name of 1-[(E)-3-pyridin-2-ylprop-2-enoyl]-2,3-dihydropyridin-6-one (CID 71534930) is 1-[(E)-3-pyridin-2-ylprop-2-enoyl]-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-[(E)-3-pyridin-2-ylprop-2-enoyl]-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-[(E)-3-pyridin-2-ylprop-2-enoyl]-2,3-dihydropyridin-6-one is O=C1C=CCCN1C(=O)/C=C/c1ccccn1.
What is the InChIKey of 1-[(E)-3-pyridin-2-ylprop-2-enoyl]-2,3-dihydropyridin-6-one?
The InChIKey is HYCQHEMRZICENW-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-12-6-2-4-10-15(12)13(17)8-7-11-5-1-3-9-14-11/h1-3,5-9H,4,10H2/b8-7+.
What are the key properties of 1-[(E)-3-pyridin-2-ylprop-2-enoyl]-2,3-dihydropyridin-6-one?
1-[(E)-3-pyridin-2-ylprop-2-enoyl]-2,3-dihydropyridin-6-one has a molecular weight of 228.25 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-pyridin-2-ylprop-2-enoyl]-2,3-dihydropyridin-6-one is sourced from PubChem (CID 71534930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).