[(E)-2-cyclopent-2-en-1-ylethenyl]benzene

C13H14 — CID 14358727

IUPAC[(E)-2-cyclopent-2-en-1-ylethenyl]benzene
SMILESC1=CC(/C=C/c2ccccc2)CC1
InChIInChI=1S/C13H14/c1-2-6-12(7-3-1)10-11-13-8-4-5-9-13/h1-4,6-8,10-11,13H,5,9H2/b11-10+
InChIKeyXFZOVXNODQNPBA-ZHACJKMWSA-N
MW170.25 g/mol
LogP3.67
Rot. Bonds2

About [(E)-2-cyclopent-2-en-1-ylethenyl]benzene

[(E)-2-cyclopent-2-en-1-ylethenyl]benzene (PubChem CID 14358727) has the molecular formula C13H14 and a molecular weight of 170.25 g/mol. Its IUPAC name is [(E)-2-cyclopent-2-en-1-ylethenyl]benzene.

Molecular Properties

Compound Name[(E)-2-cyclopent-2-en-1-ylethenyl]benzene
PubChem CID14358727
Molecular FormulaC13H14
Molecular Weight170.25 g/mol
Exact Mass170.11
IUPAC Name[(E)-2-cyclopent-2-en-1-ylethenyl]benzene
SMILESC1=CC(/C=C/c2ccccc2)CC1
InChIInChI=1S/C13H14/c1-2-6-12(7-3-1)10-11-13-8-4-5-9-13/h1-4,6-8,10-11,13H,5,9H2/b11-10+
InChIKeyXFZOVXNODQNPBA-ZHACJKMWSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-cyclopent-2-en-1-ylethenyl]benzene?
The IUPAC name of [(E)-2-cyclopent-2-en-1-ylethenyl]benzene (CID 14358727) is [(E)-2-cyclopent-2-en-1-ylethenyl]benzene.
What is the SMILES notation for [(E)-2-cyclopent-2-en-1-ylethenyl]benzene?
The canonical SMILES for [(E)-2-cyclopent-2-en-1-ylethenyl]benzene is C1=CC(/C=C/c2ccccc2)CC1.
What is the InChIKey of [(E)-2-cyclopent-2-en-1-ylethenyl]benzene?
The InChIKey is XFZOVXNODQNPBA-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H14/c1-2-6-12(7-3-1)10-11-13-8-4-5-9-13/h1-4,6-8,10-11,13H,5,9H2/b11-10+.
What are the key properties of [(E)-2-cyclopent-2-en-1-ylethenyl]benzene?
[(E)-2-cyclopent-2-en-1-ylethenyl]benzene has a molecular weight of 170.25 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-cyclopent-2-en-1-ylethenyl]benzene is sourced from PubChem (CID 14358727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).