1-(2-methylcyclopentyl)bicyclo[2.2.1]hept-2-ene

C13H20 — CID 21426215

IUPAC1-(2-methylcyclopentyl)bicyclo[2.2.1]hept-2-ene
SMILESCC1CCCC1C12C=CC(CC1)C2
InChIInChI=1S/C13H20/c1-10-3-2-4-12(10)13-7-5-11(9-13)6-8-13/h5,7,10-12H,2-4,6,8-9H2,1H3
InChIKeyTWISOUDDKLRECT-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.78
Rot. Bonds1

About 1-(2-methylcyclopentyl)bicyclo[2.2.1]hept-2-ene

1-(2-methylcyclopentyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 21426215) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 1-(2-methylcyclopentyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name1-(2-methylcyclopentyl)bicyclo[2.2.1]hept-2-ene
PubChem CID21426215
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name1-(2-methylcyclopentyl)bicyclo[2.2.1]hept-2-ene
SMILESCC1CCCC1C12C=CC(CC1)C2
InChIInChI=1S/C13H20/c1-10-3-2-4-12(10)13-7-5-11(9-13)6-8-13/h5,7,10-12H,2-4,6,8-9H2,1H3
InChIKeyTWISOUDDKLRECT-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.78
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-(2-methylcyclopentyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 1-(2-methylcyclopentyl)bicyclo[2.2.1]hept-2-ene (CID 21426215) is 1-(2-methylcyclopentyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 1-(2-methylcyclopentyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 1-(2-methylcyclopentyl)bicyclo[2.2.1]hept-2-ene is CC1CCCC1C12C=CC(CC1)C2.
What is the InChIKey of 1-(2-methylcyclopentyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is TWISOUDDKLRECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-10-3-2-4-12(10)13-7-5-11(9-13)6-8-13/h5,7,10-12H,2-4,6,8-9H2,1H3.
What are the key properties of 1-(2-methylcyclopentyl)bicyclo[2.2.1]hept-2-ene?
1-(2-methylcyclopentyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 176.30 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopentyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 21426215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).