3-methylcyclopentene

C6H9+ — CID 12608832

IUPAC3-methylcyclopentene
SMILESC[C+]1C=CCC1
InChIInChI=1S/C6H9/c1-6-4-2-3-5-6/h2,4H,3,5H2,1H3/q+1
InChIKeyVPODEHQKYHNKJE-UHFFFAOYSA-N
MW81.14 g/mol
LogP1.93
Rot. Bonds

About 3-methylcyclopentene

3-methylcyclopentene (PubChem CID 12608832) has the molecular formula C6H9+ and a molecular weight of 81.14 g/mol. Its IUPAC name is 3-methylcyclopentene.

Molecular Properties

Compound Name3-methylcyclopentene
PubChem CID12608832
Molecular FormulaC6H9+
Molecular Weight81.14 g/mol
Exact Mass81.07
IUPAC Name3-methylcyclopentene
SMILESC[C+]1C=CCC1
InChIInChI=1S/C6H9/c1-6-4-2-3-5-6/h2,4H,3,5H2,1H3/q+1
InChIKeyVPODEHQKYHNKJE-UHFFFAOYSA-N
XLogP1.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.14
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylcyclopentene?
The IUPAC name of 3-methylcyclopentene (CID 12608832) is 3-methylcyclopentene.
What is the SMILES notation for 3-methylcyclopentene?
The canonical SMILES for 3-methylcyclopentene is C[C+]1C=CCC1.
What is the InChIKey of 3-methylcyclopentene?
The InChIKey is VPODEHQKYHNKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9/c1-6-4-2-3-5-6/h2,4H,3,5H2,1H3/q+1.
What are the key properties of 3-methylcyclopentene?
3-methylcyclopentene has a molecular weight of 81.14 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylcyclopentene is sourced from PubChem (CID 12608832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).