2-[(E)-1-methoxy-3-phenylprop-2-enylidene]cyclopent-4-ene-1,3-dione

C15H12O3 — CID 10444299

IUPAC2-[(E)-1-methoxy-3-phenylprop-2-enylidene]cyclopent-4-ene-1,3-dione
SMILESCOC(/C=C/c1ccccc1)=C1C(=O)C=CC1=O
InChIInChI=1S/C15H12O3/c1-18-14(15-12(16)8-9-13(15)17)10-7-11-5-3-2-4-6-11/h2-10H,1H3/b10-7+
InChIKeyIRDOJHDAFZGXNE-JXMROGBWSA-N
MW240.26 g/mol
LogP2.31
Rot. Bonds3

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

2-[(E)-1-methoxy-3-phenylprop-2-enylidene]cyclopent-4-ene-1,3-dione (PubChem CID 10444299) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[(E)-1-methoxy-3-phenylprop-2-enylidene]cyclopent-4-ene-1,3-dione.

Molecular Properties

Compound Name2-[(E)-1-methoxy-3-phenylprop-2-enylidene]cyclopent-4-ene-1,3-dione
PubChem CID10444299
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name2-[(E)-1-methoxy-3-phenylprop-2-enylidene]cyclopent-4-ene-1,3-dione
SMILESCOC(/C=C/c1ccccc1)=C1C(=O)C=CC1=O
InChIInChI=1S/C15H12O3/c1-18-14(15-12(16)8-9-13(15)17)10-7-11-5-3-2-4-6-11/h2-10H,1H3/b10-7+
InChIKeyIRDOJHDAFZGXNE-JXMROGBWSA-N
XLogP2.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-methoxy-3-phenylprop-2-enylidene]cyclopent-4-ene-1,3-dione?
The IUPAC name of 2-[(E)-1-methoxy-3-phenylprop-2-enylidene]cyclopent-4-ene-1,3-dione (CID 10444299) is 2-[(E)-1-methoxy-3-phenylprop-2-enylidene]cyclopent-4-ene-1,3-dione.
What is the SMILES notation for 2-[(E)-1-methoxy-3-phenylprop-2-enylidene]cyclopent-4-ene-1,3-dione?
The canonical SMILES for 2-[(E)-1-methoxy-3-phenylprop-2-enylidene]cyclopent-4-ene-1,3-dione is COC(/C=C/c1ccccc1)=C1C(=O)C=CC1=O.
What is the InChIKey of 2-[(E)-1-methoxy-3-phenylprop-2-enylidene]cyclopent-4-ene-1,3-dione?
The InChIKey is IRDOJHDAFZGXNE-JXMROGBWSA-N. The full InChI is InChI=1S/C15H12O3/c1-18-14(15-12(16)8-9-13(15)17)10-7-11-5-3-2-4-6-11/h2-10H,1H3/b10-7+.
What are the key properties of 2-[(E)-1-methoxy-3-phenylprop-2-enylidene]cyclopent-4-ene-1,3-dione?
2-[(E)-1-methoxy-3-phenylprop-2-enylidene]cyclopent-4-ene-1,3-dione has a molecular weight of 240.26 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-methoxy-3-phenylprop-2-enylidene]cyclopent-4-ene-1,3-dione is sourced from PubChem (CID 10444299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).