5-(bromomethyl)bicyclo[2.2.1]hept-2-ene

C8H11Br — CID 2776062

IUPAC5-(bromomethyl)bicyclo[2.2.1]hept-2-ene
SMILESBrCC1CC2C=CC1C2
InChIInChI=1S/C8H11Br/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5H2
InChIKeyXCDJEPZLSGMJSM-UHFFFAOYSA-N
MW187.08 g/mol
LogP2.59
Rot. Bonds1

About 5-(bromomethyl)bicyclo[2.2.1]hept-2-ene

5-(bromomethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 2776062) has the molecular formula C8H11Br and a molecular weight of 187.08 g/mol. Its IUPAC name is 5-(bromomethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(bromomethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID2776062
Molecular FormulaC8H11Br
Molecular Weight187.08 g/mol
Exact Mass186.00
IUPAC Name5-(bromomethyl)bicyclo[2.2.1]hept-2-ene
SMILESBrCC1CC2C=CC1C2
InChIInChI=1S/C8H11Br/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5H2
InChIKeyXCDJEPZLSGMJSM-UHFFFAOYSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.08
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(bromomethyl)bicyclo[2.2.1]hept-2-ene (CID 2776062) is 5-(bromomethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(bromomethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(bromomethyl)bicyclo[2.2.1]hept-2-ene is BrCC1CC2C=CC1C2.
What is the InChIKey of 5-(bromomethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is XCDJEPZLSGMJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Br/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5H2.
What are the key properties of 5-(bromomethyl)bicyclo[2.2.1]hept-2-ene?
5-(bromomethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 187.08 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 2776062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).