2-bromobicyclo[2.2.2]oct-2-ene

C8H11Br — CID 10867078

IUPAC2-bromobicyclo[2.2.2]oct-2-ene
SMILESBrC1=CC2CCC1CC2
InChIInChI=1S/C8H11Br/c9-8-5-6-1-3-7(8)4-2-6/h5-7H,1-4H2
InChIKeyXBDJDMNKFWMRKU-UHFFFAOYSA-N
MW187.08 g/mol
LogP3.09
Rot. Bonds

About 2-bromobicyclo[2.2.2]oct-2-ene

2-bromobicyclo[2.2.2]oct-2-ene (PubChem CID 10867078) has the molecular formula C8H11Br and a molecular weight of 187.08 g/mol. Its IUPAC name is 2-bromobicyclo[2.2.2]oct-2-ene.

Molecular Properties

Compound Name2-bromobicyclo[2.2.2]oct-2-ene
PubChem CID10867078
Molecular FormulaC8H11Br
Molecular Weight187.08 g/mol
Exact Mass186.00
IUPAC Name2-bromobicyclo[2.2.2]oct-2-ene
SMILESBrC1=CC2CCC1CC2
InChIInChI=1S/C8H11Br/c9-8-5-6-1-3-7(8)4-2-6/h5-7H,1-4H2
InChIKeyXBDJDMNKFWMRKU-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.08
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-bromobicyclo[2.2.2]oct-2-ene?
The IUPAC name of 2-bromobicyclo[2.2.2]oct-2-ene (CID 10867078) is 2-bromobicyclo[2.2.2]oct-2-ene.
What is the SMILES notation for 2-bromobicyclo[2.2.2]oct-2-ene?
The canonical SMILES for 2-bromobicyclo[2.2.2]oct-2-ene is BrC1=CC2CCC1CC2.
What is the InChIKey of 2-bromobicyclo[2.2.2]oct-2-ene?
The InChIKey is XBDJDMNKFWMRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Br/c9-8-5-6-1-3-7(8)4-2-6/h5-7H,1-4H2.
What are the key properties of 2-bromobicyclo[2.2.2]oct-2-ene?
2-bromobicyclo[2.2.2]oct-2-ene has a molecular weight of 187.08 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromobicyclo[2.2.2]oct-2-ene is sourced from PubChem (CID 10867078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).