2-[(E)-3-(4-methylphenyl)prop-2-enylidene]cyclopent-4-ene-1,3-dione

C15H12O2 — CID 56673155

IUPAC2-[(E)-3-(4-methylphenyl)prop-2-enylidene]cyclopent-4-ene-1,3-dione
SMILESCc1ccc(/C=C/C=C2C(=O)C=CC2=O)cc1
InChIInChI=1S/C15H12O2/c1-11-5-7-12(8-6-11)3-2-4-13-14(16)9-10-15(13)17/h2-10H,1H3/b3-2+
InChIKeyVHVGPOCDQRUFEE-NSCUHMNNSA-N
MW224.26 g/mol
LogP2.64
Rot. Bonds2

About 2-[(E)-3-(4-methylphenyl)prop-2-enylidene]cyclopent-4-ene-1,3-dione

2-[(E)-3-(4-methylphenyl)prop-2-enylidene]cyclopent-4-ene-1,3-dione (PubChem CID 56673155) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[(E)-3-(4-methylphenyl)prop-2-enylidene]cyclopent-4-ene-1,3-dione.

Molecular Properties

Compound Name2-[(E)-3-(4-methylphenyl)prop-2-enylidene]cyclopent-4-ene-1,3-dione
PubChem CID56673155
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name2-[(E)-3-(4-methylphenyl)prop-2-enylidene]cyclopent-4-ene-1,3-dione
SMILESCc1ccc(/C=C/C=C2C(=O)C=CC2=O)cc1
InChIInChI=1S/C15H12O2/c1-11-5-7-12(8-6-11)3-2-4-13-14(16)9-10-15(13)17/h2-10H,1H3/b3-2+
InChIKeyVHVGPOCDQRUFEE-NSCUHMNNSA-N
XLogP2.64
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 2-[(E)-3-(4-methylphenyl)prop-2-enylidene]cyclopent-4-ene-1,3-dione 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 2-[(E)-3-(4-methylphenyl)prop-2-enylidene]cyclopent-4-ene-1,3-dione?
The IUPAC name of 2-[(E)-3-(4-methylphenyl)prop-2-enylidene]cyclopent-4-ene-1,3-dione (CID 56673155) is 2-[(E)-3-(4-methylphenyl)prop-2-enylidene]cyclopent-4-ene-1,3-dione.
What is the SMILES notation for 2-[(E)-3-(4-methylphenyl)prop-2-enylidene]cyclopent-4-ene-1,3-dione?
The canonical SMILES for 2-[(E)-3-(4-methylphenyl)prop-2-enylidene]cyclopent-4-ene-1,3-dione is Cc1ccc(/C=C/C=C2C(=O)C=CC2=O)cc1.
What is the InChIKey of 2-[(E)-3-(4-methylphenyl)prop-2-enylidene]cyclopent-4-ene-1,3-dione?
The InChIKey is VHVGPOCDQRUFEE-NSCUHMNNSA-N. The full InChI is InChI=1S/C15H12O2/c1-11-5-7-12(8-6-11)3-2-4-13-14(16)9-10-15(13)17/h2-10H,1H3/b3-2+.
What are the key properties of 2-[(E)-3-(4-methylphenyl)prop-2-enylidene]cyclopent-4-ene-1,3-dione?
2-[(E)-3-(4-methylphenyl)prop-2-enylidene]cyclopent-4-ene-1,3-dione has a molecular weight of 224.26 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-(4-methylphenyl)prop-2-enylidene]cyclopent-4-ene-1,3-dione is sourced from PubChem (CID 56673155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).