1-cyclopent-2-en-1-yl-2-methylbenzene

C12H14 — CID 12699492

IUPAC1-cyclopent-2-en-1-yl-2-methylbenzene
SMILESCc1ccccc1C1C=CCC1
InChIInChI=1S/C12H14/c1-10-6-2-5-9-12(10)11-7-3-4-8-11/h2-3,5-7,9,11H,4,8H2,1H3
InChIKeySUWZXWSCHVJRMZ-UHFFFAOYSA-N
MW158.24 g/mol
LogP3.43
Rot. Bonds1

About 1-cyclopent-2-en-1-yl-2-methylbenzene

1-cyclopent-2-en-1-yl-2-methylbenzene (PubChem CID 12699492) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-cyclopent-2-en-1-yl-2-methylbenzene.

Molecular Properties

Compound Name1-cyclopent-2-en-1-yl-2-methylbenzene
PubChem CID12699492
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Name1-cyclopent-2-en-1-yl-2-methylbenzene
SMILESCc1ccccc1C1C=CCC1
InChIInChI=1S/C12H14/c1-10-6-2-5-9-12(10)11-7-3-4-8-11/h2-3,5-7,9,11H,4,8H2,1H3
InChIKeySUWZXWSCHVJRMZ-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.43
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 1-cyclopent-2-en-1-yl-2-methylbenzene?
The IUPAC name of 1-cyclopent-2-en-1-yl-2-methylbenzene (CID 12699492) is 1-cyclopent-2-en-1-yl-2-methylbenzene.
What is the SMILES notation for 1-cyclopent-2-en-1-yl-2-methylbenzene?
The canonical SMILES for 1-cyclopent-2-en-1-yl-2-methylbenzene is Cc1ccccc1C1C=CCC1.
What is the InChIKey of 1-cyclopent-2-en-1-yl-2-methylbenzene?
The InChIKey is SUWZXWSCHVJRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14/c1-10-6-2-5-9-12(10)11-7-3-4-8-11/h2-3,5-7,9,11H,4,8H2,1H3.
What are the key properties of 1-cyclopent-2-en-1-yl-2-methylbenzene?
1-cyclopent-2-en-1-yl-2-methylbenzene has a molecular weight of 158.24 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopent-2-en-1-yl-2-methylbenzene is sourced from PubChem (CID 12699492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).