2-ethenylbicyclo[3.1.0]hexane

C8H12 — CID 12663435

IUPAC2-ethenylbicyclo[3.1.0]hexane
SMILESC=CC1CCC2CC12
InChIInChI=1S/C8H12/c1-2-6-3-4-7-5-8(6)7/h2,6-8H,1,3-5H2
InChIKeyQPHJECOMDNWUQI-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.22
Rot. Bonds1

About 2-ethenylbicyclo[3.1.0]hexane

2-ethenylbicyclo[3.1.0]hexane (PubChem CID 12663435) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 2-ethenylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Name2-ethenylbicyclo[3.1.0]hexane
PubChem CID12663435
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name2-ethenylbicyclo[3.1.0]hexane
SMILESC=CC1CCC2CC12
InChIInChI=1S/C8H12/c1-2-6-3-4-7-5-8(6)7/h2,6-8H,1,3-5H2
InChIKeyQPHJECOMDNWUQI-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.22
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 2-ethenylbicyclo[3.1.0]hexane?
The IUPAC name of 2-ethenylbicyclo[3.1.0]hexane (CID 12663435) is 2-ethenylbicyclo[3.1.0]hexane.
What is the SMILES notation for 2-ethenylbicyclo[3.1.0]hexane?
The canonical SMILES for 2-ethenylbicyclo[3.1.0]hexane is C=CC1CCC2CC12.
What is the InChIKey of 2-ethenylbicyclo[3.1.0]hexane?
The InChIKey is QPHJECOMDNWUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-2-6-3-4-7-5-8(6)7/h2,6-8H,1,3-5H2.
What are the key properties of 2-ethenylbicyclo[3.1.0]hexane?
2-ethenylbicyclo[3.1.0]hexane has a molecular weight of 108.18 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylbicyclo[3.1.0]hexane is sourced from PubChem (CID 12663435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).