1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one

C14H14N2O2 — CID 118679082

IUPAC1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
SMILESNc1ccc(/C=C/C(=O)N2CCC=CC2=O)cc1
InChIInChI=1S/C14H14N2O2/c15-12-7-4-11(5-8-12)6-9-14(18)16-10-2-1-3-13(16)17/h1,3-9H,2,10,15H2/b9-6+
InChIKeySJDXFICHTPEYCI-RMKNXTFCSA-N
MW242.28 g/mol
LogP1.60
Rot. Bonds2

About 1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one

1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one (PubChem CID 118679082) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
PubChem CID118679082
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
SMILESNc1ccc(/C=C/C(=O)N2CCC=CC2=O)cc1
InChIInChI=1S/C14H14N2O2/c15-12-7-4-11(5-8-12)6-9-14(18)16-10-2-1-3-13(16)17/h1,3-9H,2,10,15H2/b9-6+
InChIKeySJDXFICHTPEYCI-RMKNXTFCSA-N
XLogP1.60
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(E)-3-(4-aminophenyl)prop-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-(4-aminophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
The IUPAC name of 1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one (CID 118679082) is 1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one is Nc1ccc(/C=C/C(=O)N2CCC=CC2=O)cc1.
What is the InChIKey of 1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
The InChIKey is SJDXFICHTPEYCI-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H14N2O2/c15-12-7-4-11(5-8-12)6-9-14(18)16-10-2-1-3-13(16)17/h1,3-9H,2,10,15H2/b9-6+.
What are the key properties of 1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one has a molecular weight of 242.28 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one is sourced from PubChem (CID 118679082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).