4-ethenylbicyclo[3.1.0]hexa-1(5),2-diene

C8H8 — CID 163583110

IUPAC4-ethenylbicyclo[3.1.0]hexa-1(5),2-diene
SMILESC=CC1C=CC2=C1C2
InChIInChI=1S/C8H8/c1-2-6-3-4-7-5-8(6)7/h2-4,6H,1,5H2
InChIKeyGJFNLZNCTUZMNF-UHFFFAOYSA-N
MW104.15 g/mol
LogP2.06
Rot. Bonds1

About 4-ethenylbicyclo[3.1.0]hexa-1(5),2-diene

4-ethenylbicyclo[3.1.0]hexa-1(5),2-diene (PubChem CID 163583110) has the molecular formula C8H8 and a molecular weight of 104.15 g/mol. Its IUPAC name is 4-ethenylbicyclo[3.1.0]hexa-1(5),2-diene.

Molecular Properties

Compound Name4-ethenylbicyclo[3.1.0]hexa-1(5),2-diene
PubChem CID163583110
Molecular FormulaC8H8
Molecular Weight104.15 g/mol
Exact Mass104.06
IUPAC Name4-ethenylbicyclo[3.1.0]hexa-1(5),2-diene
SMILESC=CC1C=CC2=C1C2
InChIInChI=1S/C8H8/c1-2-6-3-4-7-5-8(6)7/h2-4,6H,1,5H2
InChIKeyGJFNLZNCTUZMNF-UHFFFAOYSA-N
XLogP2.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 52.06
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 4-ethenylbicyclo[3.1.0]hexa-1(5),2-diene?
The IUPAC name of 4-ethenylbicyclo[3.1.0]hexa-1(5),2-diene (CID 163583110) is 4-ethenylbicyclo[3.1.0]hexa-1(5),2-diene.
What is the SMILES notation for 4-ethenylbicyclo[3.1.0]hexa-1(5),2-diene?
The canonical SMILES for 4-ethenylbicyclo[3.1.0]hexa-1(5),2-diene is C=CC1C=CC2=C1C2.
What is the InChIKey of 4-ethenylbicyclo[3.1.0]hexa-1(5),2-diene?
The InChIKey is GJFNLZNCTUZMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8/c1-2-6-3-4-7-5-8(6)7/h2-4,6H,1,5H2.
What are the key properties of 4-ethenylbicyclo[3.1.0]hexa-1(5),2-diene?
4-ethenylbicyclo[3.1.0]hexa-1(5),2-diene has a molecular weight of 104.15 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylbicyclo[3.1.0]hexa-1(5),2-diene is sourced from PubChem (CID 163583110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).