5-cyclohexylidene-2,3-dimethyl-4-phenylcyclopent-2-en-1-one

C19H22O — CID 102142065

IUPAC5-cyclohexylidene-2,3-dimethyl-4-phenylcyclopent-2-en-1-one
SMILESCC1=C(C)C(c2ccccc2)C(=C2CCCCC2)C1=O
InChIInChI=1S/C19H22O/c1-13-14(2)19(20)18(16-11-7-4-8-12-16)17(13)15-9-5-3-6-10-15/h3,5-6,9-10,17H,4,7-8,11-12H2,1-2H3
InChIKeyHNFOJPRVYABYCY-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.95
Rot. Bonds1

About 5-cyclohexylidene-2,3-dimethyl-4-phenylcyclopent-2-en-1-one

5-cyclohexylidene-2,3-dimethyl-4-phenylcyclopent-2-en-1-one (PubChem CID 102142065) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 5-cyclohexylidene-2,3-dimethyl-4-phenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name5-cyclohexylidene-2,3-dimethyl-4-phenylcyclopent-2-en-1-one
PubChem CID102142065
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name5-cyclohexylidene-2,3-dimethyl-4-phenylcyclopent-2-en-1-one
SMILESCC1=C(C)C(c2ccccc2)C(=C2CCCCC2)C1=O
InChIInChI=1S/C19H22O/c1-13-14(2)19(20)18(16-11-7-4-8-12-16)17(13)15-9-5-3-6-10-15/h3,5-6,9-10,17H,4,7-8,11-12H2,1-2H3
InChIKeyHNFOJPRVYABYCY-UHFFFAOYSA-N
XLogP4.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-cyclohexylidene-2,3-dimethyl-4-phenylcyclopent-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

2,3-diphenylcyclododecane-1,4-dione
CID 101032541
cyclododecanone;toluene
CID 158013409
(5Z)-5-butan-2-ylidene-2-methyl-3,4-diphenylcyclopent-2-en-1-one
CID 102142073
(5S,13bR)-5-phenyl-5,8,9,13b-tetrahydroisoquinolino[1,2-a]isoquinolin-6-one
CID 170913650
(2R)-4-methyl-3-[(2R)-4-methyl-5-oxo-2-phenyl-2H-furan-3-yl]-2-phenyl-2H-furan-5-one
CID 102397882
5-ethylidene-2-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one
CID 57358221
(5R)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
CID 817582
6-methyl-4-phenylcyclodec-5-en-1-one
CID 91670765
(5Z)-2-hydroxy-3-methyl-4-phenyl-5-(2-phenylethylidene)cyclopent-2-en-1-one
CID 101250543
4-diazo-3-phenylcyclohexane-1,2-dione
CID 54136208
2-(4-methylphenyl)-6-phenylthian-4-one
CID 3691467
(1S,5S,7R)-6-cyclohexylidene-3-(4-methylphenyl)sulfonyl-7-phenyl-3-azabicyclo[3.2.0]heptane
CID 135053897

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexylidene-2,3-dimethyl-4-phenylcyclopent-2-en-1-one?
The IUPAC name of 5-cyclohexylidene-2,3-dimethyl-4-phenylcyclopent-2-en-1-one (CID 102142065) is 5-cyclohexylidene-2,3-dimethyl-4-phenylcyclopent-2-en-1-one.
What is the SMILES notation for 5-cyclohexylidene-2,3-dimethyl-4-phenylcyclopent-2-en-1-one?
The canonical SMILES for 5-cyclohexylidene-2,3-dimethyl-4-phenylcyclopent-2-en-1-one is CC1=C(C)C(c2ccccc2)C(=C2CCCCC2)C1=O.
What is the InChIKey of 5-cyclohexylidene-2,3-dimethyl-4-phenylcyclopent-2-en-1-one?
The InChIKey is HNFOJPRVYABYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-13-14(2)19(20)18(16-11-7-4-8-12-16)17(13)15-9-5-3-6-10-15/h3,5-6,9-10,17H,4,7-8,11-12H2,1-2H3.
What are the key properties of 5-cyclohexylidene-2,3-dimethyl-4-phenylcyclopent-2-en-1-one?
5-cyclohexylidene-2,3-dimethyl-4-phenylcyclopent-2-en-1-one has a molecular weight of 266.38 g/mol, XLogP of 4.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexylidene-2,3-dimethyl-4-phenylcyclopent-2-en-1-one is sourced from PubChem (CID 102142065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).