1-[(E)-3-[2-(1H-imidazol-5-yl)phenyl]prop-2-enoyl]-2,3-dihydropyridin-6-one

C17H15N3O2 — CID 163408937

IUPAC1-[(E)-3-[2-(1H-imidazol-5-yl)phenyl]prop-2-enoyl]-2,3-dihydropyridin-6-one
SMILESO=C1C=CCCN1C(=O)/C=C/c1ccccc1-c1cnc[nH]1
InChIInChI=1S/C17H15N3O2/c21-16-7-3-4-10-20(16)17(22)9-8-13-5-1-2-6-14(13)15-11-18-12-19-15/h1-3,5-9,11-12H,4,10H2,(H,18,19)/b9-8+
InChIKeyJJOMQKGDGWAVKI-CMDGGOBGSA-N
MW293.33 g/mol
LogP2.40
Rot. Bonds3

About 1-[(E)-3-[2-(1H-imidazol-5-yl)phenyl]prop-2-enoyl]-2,3-dihydropyridin-6-one

1-[(E)-3-[2-(1H-imidazol-5-yl)phenyl]prop-2-enoyl]-2,3-dihydropyridin-6-one (PubChem CID 163408937) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-[(E)-3-[2-(1H-imidazol-5-yl)phenyl]prop-2-enoyl]-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-[(E)-3-[2-(1H-imidazol-5-yl)phenyl]prop-2-enoyl]-2,3-dihydropyridin-6-one
PubChem CID163408937
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name1-[(E)-3-[2-(1H-imidazol-5-yl)phenyl]prop-2-enoyl]-2,3-dihydropyridin-6-one
SMILESO=C1C=CCCN1C(=O)/C=C/c1ccccc1-c1cnc[nH]1
InChIInChI=1S/C17H15N3O2/c21-16-7-3-4-10-20(16)17(22)9-8-13-5-1-2-6-14(13)15-11-18-12-19-15/h1-3,5-9,11-12H,4,10H2,(H,18,19)/b9-8+
InChIKeyJJOMQKGDGWAVKI-CMDGGOBGSA-N
XLogP2.40
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(E)-3-[2-(1H-imidazol-5-yl)phenyl]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-[2-(1H-imidazol-5-yl)phenyl]prop-2-enoyl]-2,3-dihydropyridin-6-one?
The IUPAC name of 1-[(E)-3-[2-(1H-imidazol-5-yl)phenyl]prop-2-enoyl]-2,3-dihydropyridin-6-one (CID 163408937) is 1-[(E)-3-[2-(1H-imidazol-5-yl)phenyl]prop-2-enoyl]-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-[(E)-3-[2-(1H-imidazol-5-yl)phenyl]prop-2-enoyl]-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-[(E)-3-[2-(1H-imidazol-5-yl)phenyl]prop-2-enoyl]-2,3-dihydropyridin-6-one is O=C1C=CCCN1C(=O)/C=C/c1ccccc1-c1cnc[nH]1.
What is the InChIKey of 1-[(E)-3-[2-(1H-imidazol-5-yl)phenyl]prop-2-enoyl]-2,3-dihydropyridin-6-one?
The InChIKey is JJOMQKGDGWAVKI-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H15N3O2/c21-16-7-3-4-10-20(16)17(22)9-8-13-5-1-2-6-14(13)15-11-18-12-19-15/h1-3,5-9,11-12H,4,10H2,(H,18,19)/b9-8+.
What are the key properties of 1-[(E)-3-[2-(1H-imidazol-5-yl)phenyl]prop-2-enoyl]-2,3-dihydropyridin-6-one?
1-[(E)-3-[2-(1H-imidazol-5-yl)phenyl]prop-2-enoyl]-2,3-dihydropyridin-6-one has a molecular weight of 293.33 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-[2-(1H-imidazol-5-yl)phenyl]prop-2-enoyl]-2,3-dihydropyridin-6-one is sourced from PubChem (CID 163408937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).