3-[(E)-3-(phenylhydrazinylidene)prop-1-enyl]chromen-4-one

C18H14N2O2 — CID 165344294

IUPAC3-[(E)-3-(phenylhydrazinylidene)prop-1-enyl]chromen-4-one
SMILESO=c1c(/C=C/C=NNc2ccccc2)coc2ccccc12
InChIInChI=1S/C18H14N2O2/c21-18-14(13-22-17-11-5-4-10-16(17)18)7-6-12-19-20-15-8-2-1-3-9-15/h1-13,20H/b7-6+,19-12?
InChIKeyBKWHKHZLSJQDNL-ZBKCLDDHSA-N
MW290.32 g/mol
LogP3.90
Rot. Bonds4

About 3-[(E)-3-(phenylhydrazinylidene)prop-1-enyl]chromen-4-one

3-[(E)-3-(phenylhydrazinylidene)prop-1-enyl]chromen-4-one (PubChem CID 165344294) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[(E)-3-(phenylhydrazinylidene)prop-1-enyl]chromen-4-one.

Molecular Properties

Compound Name3-[(E)-3-(phenylhydrazinylidene)prop-1-enyl]chromen-4-one
PubChem CID165344294
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name3-[(E)-3-(phenylhydrazinylidene)prop-1-enyl]chromen-4-one
SMILESO=c1c(/C=C/C=NNc2ccccc2)coc2ccccc12
InChIInChI=1S/C18H14N2O2/c21-18-14(13-22-17-11-5-4-10-16(17)18)7-6-12-19-20-15-8-2-1-3-9-15/h1-13,20H/b7-6+,19-12?
InChIKeyBKWHKHZLSJQDNL-ZBKCLDDHSA-N
XLogP3.90
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(E)-3-(phenylhydrazinylidene)prop-1-enyl]chromen-4-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 3-[(E)-3-(phenylhydrazinylidene)prop-1-enyl]chromen-4-one?
The IUPAC name of 3-[(E)-3-(phenylhydrazinylidene)prop-1-enyl]chromen-4-one (CID 165344294) is 3-[(E)-3-(phenylhydrazinylidene)prop-1-enyl]chromen-4-one.
What is the SMILES notation for 3-[(E)-3-(phenylhydrazinylidene)prop-1-enyl]chromen-4-one?
The canonical SMILES for 3-[(E)-3-(phenylhydrazinylidene)prop-1-enyl]chromen-4-one is O=c1c(/C=C/C=NNc2ccccc2)coc2ccccc12.
What is the InChIKey of 3-[(E)-3-(phenylhydrazinylidene)prop-1-enyl]chromen-4-one?
The InChIKey is BKWHKHZLSJQDNL-ZBKCLDDHSA-N. The full InChI is InChI=1S/C18H14N2O2/c21-18-14(13-22-17-11-5-4-10-16(17)18)7-6-12-19-20-15-8-2-1-3-9-15/h1-13,20H/b7-6+,19-12?.
What are the key properties of 3-[(E)-3-(phenylhydrazinylidene)prop-1-enyl]chromen-4-one?
3-[(E)-3-(phenylhydrazinylidene)prop-1-enyl]chromen-4-one has a molecular weight of 290.32 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-(phenylhydrazinylidene)prop-1-enyl]chromen-4-one is sourced from PubChem (CID 165344294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).