5,6-bis(ethenyl)bicyclo[2.2.1]hept-2-ene

C11H14 — CID 23119553

IUPAC5,6-bis(ethenyl)bicyclo[2.2.1]hept-2-ene
SMILESC=CC1C2C=CC(C2)C1C=C
InChIInChI=1S/C11H14/c1-3-10-8-5-6-9(7-8)11(10)4-2/h3-6,8-11H,1-2,7H2
InChIKeyNKIRMYUBQDWOMH-UHFFFAOYSA-N
MW146.23 g/mol
LogP2.80
Rot. Bonds2

About 5,6-bis(ethenyl)bicyclo[2.2.1]hept-2-ene

5,6-bis(ethenyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 23119553) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is 5,6-bis(ethenyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5,6-bis(ethenyl)bicyclo[2.2.1]hept-2-ene
PubChem CID23119553
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name5,6-bis(ethenyl)bicyclo[2.2.1]hept-2-ene
SMILESC=CC1C2C=CC(C2)C1C=C
InChIInChI=1S/C11H14/c1-3-10-8-5-6-9(7-8)11(10)4-2/h3-6,8-11H,1-2,7H2
InChIKeyNKIRMYUBQDWOMH-UHFFFAOYSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 52.80
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 5,6-bis(ethenyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5,6-bis(ethenyl)bicyclo[2.2.1]hept-2-ene (CID 23119553) is 5,6-bis(ethenyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5,6-bis(ethenyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5,6-bis(ethenyl)bicyclo[2.2.1]hept-2-ene is C=CC1C2C=CC(C2)C1C=C.
What is the InChIKey of 5,6-bis(ethenyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is NKIRMYUBQDWOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14/c1-3-10-8-5-6-9(7-8)11(10)4-2/h3-6,8-11H,1-2,7H2.
What are the key properties of 5,6-bis(ethenyl)bicyclo[2.2.1]hept-2-ene?
5,6-bis(ethenyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 146.23 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(ethenyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 23119553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).