2-[(E)-5-phenylpent-2-enyl]cyclohex-2-en-1-one

C17H20O — CID 71507732

IUPAC2-[(E)-5-phenylpent-2-enyl]cyclohex-2-en-1-one
SMILESO=C1CCCC=C1C/C=C/CCc1ccccc1
InChIInChI=1S/C17H20O/c18-17-14-8-7-13-16(17)12-6-2-5-11-15-9-3-1-4-10-15/h1-4,6,9-10,13H,5,7-8,11-12,14H2/b6-2+
InChIKeyJPGKWVUGOSINTG-QHHAFSJGSA-N
MW240.35 g/mol
LogP4.24
Rot. Bonds5

About 2-[(E)-5-phenylpent-2-enyl]cyclohex-2-en-1-one

2-[(E)-5-phenylpent-2-enyl]cyclohex-2-en-1-one (PubChem CID 71507732) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[(E)-5-phenylpent-2-enyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name2-[(E)-5-phenylpent-2-enyl]cyclohex-2-en-1-one
PubChem CID71507732
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name2-[(E)-5-phenylpent-2-enyl]cyclohex-2-en-1-one
SMILESO=C1CCCC=C1C/C=C/CCc1ccccc1
InChIInChI=1S/C17H20O/c18-17-14-8-7-13-16(17)12-6-2-5-11-15-9-3-1-4-10-15/h1-4,6,9-10,13H,5,7-8,11-12,14H2/b6-2+
InChIKeyJPGKWVUGOSINTG-QHHAFSJGSA-N
XLogP4.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(E)-5-phenylpent-2-enyl]cyclohex-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

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-5-phenylpent-2-enyl]cyclohex-2-en-1-one?
The IUPAC name of 2-[(E)-5-phenylpent-2-enyl]cyclohex-2-en-1-one (CID 71507732) is 2-[(E)-5-phenylpent-2-enyl]cyclohex-2-en-1-one.
What is the SMILES notation for 2-[(E)-5-phenylpent-2-enyl]cyclohex-2-en-1-one?
The canonical SMILES for 2-[(E)-5-phenylpent-2-enyl]cyclohex-2-en-1-one is O=C1CCCC=C1C/C=C/CCc1ccccc1.
What is the InChIKey of 2-[(E)-5-phenylpent-2-enyl]cyclohex-2-en-1-one?
The InChIKey is JPGKWVUGOSINTG-QHHAFSJGSA-N. The full InChI is InChI=1S/C17H20O/c18-17-14-8-7-13-16(17)12-6-2-5-11-15-9-3-1-4-10-15/h1-4,6,9-10,13H,5,7-8,11-12,14H2/b6-2+.
What are the key properties of 2-[(E)-5-phenylpent-2-enyl]cyclohex-2-en-1-one?
2-[(E)-5-phenylpent-2-enyl]cyclohex-2-en-1-one has a molecular weight of 240.35 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-5-phenylpent-2-enyl]cyclohex-2-en-1-one is sourced from PubChem (CID 71507732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).