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

C15H16N2O3 — CID 118689467

IUPAC1-[(E)-3-(3-amino-4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
SMILESCOc1ccc(/C=C/C(=O)N2CCC=CC2=O)cc1N
InChIInChI=1S/C15H16N2O3/c1-20-13-7-5-11(10-12(13)16)6-8-15(19)17-9-3-2-4-14(17)18/h2,4-8,10H,3,9,16H2,1H3/b8-6+
InChIKeyBOHLMPSEEYXLMS-SOFGYWHQSA-N
MW272.30 g/mol
LogP1.61
Rot. Bonds3

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

1-[(E)-3-(3-amino-4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one (PubChem CID 118689467) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-[(E)-3-(3-amino-4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-[(E)-3-(3-amino-4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
PubChem CID118689467
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-[(E)-3-(3-amino-4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
SMILESCOc1ccc(/C=C/C(=O)N2CCC=CC2=O)cc1N
InChIInChI=1S/C15H16N2O3/c1-20-13-7-5-11(10-12(13)16)6-8-15(19)17-9-3-2-4-14(17)18/h2,4-8,10H,3,9,16H2,1H3/b8-6+
InChIKeyBOHLMPSEEYXLMS-SOFGYWHQSA-N
XLogP1.61
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(E)-3-(3-amino-4-methoxyphenyl)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-(3-amino-4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
The IUPAC name of 1-[(E)-3-(3-amino-4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one (CID 118689467) is 1-[(E)-3-(3-amino-4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-[(E)-3-(3-amino-4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-[(E)-3-(3-amino-4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one is COc1ccc(/C=C/C(=O)N2CCC=CC2=O)cc1N.
What is the InChIKey of 1-[(E)-3-(3-amino-4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
The InChIKey is BOHLMPSEEYXLMS-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-20-13-7-5-11(10-12(13)16)6-8-15(19)17-9-3-2-4-14(17)18/h2,4-8,10H,3,9,16H2,1H3/b8-6+.
What are the key properties of 1-[(E)-3-(3-amino-4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one?
1-[(E)-3-(3-amino-4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one has a molecular weight of 272.30 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(3-amino-4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one is sourced from PubChem (CID 118689467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).