(5Z)-5-(1-anilinoethylidene)-4-methylidene-2,3-diphenylcyclopent-2-en-1-one

C26H21NO — CID 10451361

IUPAC(5Z)-5-(1-anilinoethylidene)-4-methylidene-2,3-diphenylcyclopent-2-en-1-one
SMILESC=C1C(c2ccccc2)=C(c2ccccc2)C(=O)/C1=C(/C)Nc1ccccc1
InChIInChI=1S/C26H21NO/c1-18-23(19(2)27-22-16-10-5-11-17-22)26(28)25(21-14-8-4-9-15-21)24(18)20-12-6-3-7-13-20/h3-17,27H,1H2,2H3/b23-19-
InChIKeyIMMPKULMANPCEW-NMWGTECJSA-N
MW363.46 g/mol
LogP6.12
Rot. Bonds4

About (5Z)-5-(1-anilinoethylidene)-4-methylidene-2,3-diphenylcyclopent-2-en-1-one

(5Z)-5-(1-anilinoethylidene)-4-methylidene-2,3-diphenylcyclopent-2-en-1-one (PubChem CID 10451361) has the molecular formula C26H21NO and a molecular weight of 363.46 g/mol. Its IUPAC name is (5Z)-5-(1-anilinoethylidene)-4-methylidene-2,3-diphenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(5Z)-5-(1-anilinoethylidene)-4-methylidene-2,3-diphenylcyclopent-2-en-1-one
PubChem CID10451361
Molecular FormulaC26H21NO
Molecular Weight363.46 g/mol
Exact Mass363.16
IUPAC Name(5Z)-5-(1-anilinoethylidene)-4-methylidene-2,3-diphenylcyclopent-2-en-1-one
SMILESC=C1C(c2ccccc2)=C(c2ccccc2)C(=O)/C1=C(/C)Nc1ccccc1
InChIInChI=1S/C26H21NO/c1-18-23(19(2)27-22-16-10-5-11-17-22)26(28)25(21-14-8-4-9-15-21)24(18)20-12-6-3-7-13-20/h3-17,27H,1H2,2H3/b23-19-
InChIKeyIMMPKULMANPCEW-NMWGTECJSA-N
XLogP6.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5Z)-5-(1-anilinoethylidene)-4-methylidene-2,3-diphenylcyclopent-2-en-1-one 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

1-fluoro-4-(3-methylidene-2-phenyl-4-propan-2-ylidenecyclobuten-1-yl)benzene
CID 164887728
cobalt;N-phenylacetamide
CID 158689050
N-(4-phenylphenyl)acetamide
CID 19998
nitrous acid;N-phenylacetamide
CID 174797407
(2R)-2-chloro-3-oxo-N-phenylbutanamide
CID 737830
acetyl bromide;N-phenylacetamide
CID 175285562
2-acetamido-2-methyl-N-phenylpropanamide
CID 67963180
1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-phenylurea
CID 4056614
1-anilinoethylidenechromium
CID 519989
6-(1-anilinoethylidene)-3,5-diphenylcyclohex-2-en-1-one
CID 3911749
2-(1-anilino-1-oxopropan-2-yl)oxy-N-phenylpropanamide
CID 141218606
N-phenylacetamide;toluene
CID 175205531

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(1-anilinoethylidene)-4-methylidene-2,3-diphenylcyclopent-2-en-1-one?
The IUPAC name of (5Z)-5-(1-anilinoethylidene)-4-methylidene-2,3-diphenylcyclopent-2-en-1-one (CID 10451361) is (5Z)-5-(1-anilinoethylidene)-4-methylidene-2,3-diphenylcyclopent-2-en-1-one.
What is the SMILES notation for (5Z)-5-(1-anilinoethylidene)-4-methylidene-2,3-diphenylcyclopent-2-en-1-one?
The canonical SMILES for (5Z)-5-(1-anilinoethylidene)-4-methylidene-2,3-diphenylcyclopent-2-en-1-one is C=C1C(c2ccccc2)=C(c2ccccc2)C(=O)/C1=C(/C)Nc1ccccc1.
What is the InChIKey of (5Z)-5-(1-anilinoethylidene)-4-methylidene-2,3-diphenylcyclopent-2-en-1-one?
The InChIKey is IMMPKULMANPCEW-NMWGTECJSA-N. The full InChI is InChI=1S/C26H21NO/c1-18-23(19(2)27-22-16-10-5-11-17-22)26(28)25(21-14-8-4-9-15-21)24(18)20-12-6-3-7-13-20/h3-17,27H,1H2,2H3/b23-19-.
What are the key properties of (5Z)-5-(1-anilinoethylidene)-4-methylidene-2,3-diphenylcyclopent-2-en-1-one?
(5Z)-5-(1-anilinoethylidene)-4-methylidene-2,3-diphenylcyclopent-2-en-1-one has a molecular weight of 363.46 g/mol, XLogP of 6.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(1-anilinoethylidene)-4-methylidene-2,3-diphenylcyclopent-2-en-1-one is sourced from PubChem (CID 10451361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).