1-[4-(cinnamylideneamino)phenyl]ethanone

C17H15NO — CID 3705604

IUPAC1-[4-(cinnamylideneamino)phenyl]ethanone
SMILESCC(=O)c1ccc(/N=C/C=Cc2ccccc2)cc1
InChIInChI=1S/C17H15NO/c1-14(19)16-9-11-17(12-10-16)18-13-5-8-15-6-3-2-4-7-15/h2-13H,1H3/b8-5?,18-13+
InChIKeySPJDIYQWHOVFHE-ZAWRQSKJSA-N
MW249.31 g/mol
LogP4.30
Rot. Bonds4

About 1-[4-(cinnamylideneamino)phenyl]ethanone

1-[4-(cinnamylideneamino)phenyl]ethanone (PubChem CID 3705604) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[4-(cinnamylideneamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(cinnamylideneamino)phenyl]ethanone
PubChem CID3705604
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name1-[4-(cinnamylideneamino)phenyl]ethanone
SMILESCC(=O)c1ccc(/N=C/C=Cc2ccccc2)cc1
InChIInChI=1S/C17H15NO/c1-14(19)16-9-11-17(12-10-16)18-13-5-8-15-6-3-2-4-7-15/h2-13H,1H3/b8-5?,18-13+
InChIKeySPJDIYQWHOVFHE-ZAWRQSKJSA-N
XLogP4.30
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-(cinnamylideneamino)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N,3-diphenylprop-2-en-1-imine
CID 40507555
methyl 4-[(E)-3-phenyliminoprop-1-enyl]benzoate
CID 11514500
1-[4-(3,3-diphenylprop-2-enylideneamino)phenyl]ethanone
CID 102475202
N-(4-iodophenyl)-3-phenylprop-2-en-1-imine
CID 554999
4-[[(Z)-3-phenylprop-2-enylidene]amino]benzenesulfonamide
CID 93012826
(E)-N-(3,5-dimethylphenyl)-3-phenylprop-2-en-1-imine
CID 6302344
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;1-phenylethanone
CID 160723303
ethane;1-(4-phenyldiazenylphenyl)ethanone
CID 165138177
1,3-diphenylprop-2-en-1-one;1-phenylethanone
CID 174503115
(E)-3-(4-bromophenyl)-N-phenylprop-2-en-1-imine
CID 135076458
(E)-1-(4-acetylphenyl)-4-phenylbut-3-en-1-one
CID 46928519
[4-(cinnamylideneamino)phenyl] thiocyanate
CID 165354730

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cinnamylideneamino)phenyl]ethanone?
The IUPAC name of 1-[4-(cinnamylideneamino)phenyl]ethanone (CID 3705604) is 1-[4-(cinnamylideneamino)phenyl]ethanone.
What is the SMILES notation for 1-[4-(cinnamylideneamino)phenyl]ethanone?
The canonical SMILES for 1-[4-(cinnamylideneamino)phenyl]ethanone is CC(=O)c1ccc(/N=C/C=Cc2ccccc2)cc1.
What is the InChIKey of 1-[4-(cinnamylideneamino)phenyl]ethanone?
The InChIKey is SPJDIYQWHOVFHE-ZAWRQSKJSA-N. The full InChI is InChI=1S/C17H15NO/c1-14(19)16-9-11-17(12-10-16)18-13-5-8-15-6-3-2-4-7-15/h2-13H,1H3/b8-5?,18-13+.
What are the key properties of 1-[4-(cinnamylideneamino)phenyl]ethanone?
1-[4-(cinnamylideneamino)phenyl]ethanone has a molecular weight of 249.31 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cinnamylideneamino)phenyl]ethanone is sourced from PubChem (CID 3705604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).