(1R,6S,7R)-7-bromobicyclo[4.1.0]hept-2-ene

C7H9Br — CID 131115214

IUPAC(1R,6S,7R)-7-bromobicyclo[4.1.0]hept-2-ene
SMILESBr[C@H]1[C@@H]2C=CCC[C@H]12
InChIInChI=1S/C7H9Br/c8-7-5-3-1-2-4-6(5)7/h1,3,5-7H,2,4H2/t5-,6+,7+/m1/s1
InChIKeyGHPWOLBQKFEFKH-VQVTYTSYSA-N
MW173.05 g/mol
LogP2.35
Rot. Bonds

About (1R,6S,7R)-7-bromobicyclo[4.1.0]hept-2-ene

(1R,6S,7R)-7-bromobicyclo[4.1.0]hept-2-ene (PubChem CID 131115214) has the molecular formula C7H9Br and a molecular weight of 173.05 g/mol. Its IUPAC name is (1R,6S,7R)-7-bromobicyclo[4.1.0]hept-2-ene.

Molecular Properties

Compound Name(1R,6S,7R)-7-bromobicyclo[4.1.0]hept-2-ene
PubChem CID131115214
Molecular FormulaC7H9Br
Molecular Weight173.05 g/mol
Exact Mass171.99
IUPAC Name(1R,6S,7R)-7-bromobicyclo[4.1.0]hept-2-ene
SMILESBr[C@H]1[C@@H]2C=CCC[C@H]12
InChIInChI=1S/C7H9Br/c8-7-5-3-1-2-4-6(5)7/h1,3,5-7H,2,4H2/t5-,6+,7+/m1/s1
InChIKeyGHPWOLBQKFEFKH-VQVTYTSYSA-N
XLogP2.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.05
LogP ≤ 52.35
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 (1R,6S,7R)-7-bromobicyclo[4.1.0]hept-2-ene?
The IUPAC name of (1R,6S,7R)-7-bromobicyclo[4.1.0]hept-2-ene (CID 131115214) is (1R,6S,7R)-7-bromobicyclo[4.1.0]hept-2-ene.
What is the SMILES notation for (1R,6S,7R)-7-bromobicyclo[4.1.0]hept-2-ene?
The canonical SMILES for (1R,6S,7R)-7-bromobicyclo[4.1.0]hept-2-ene is Br[C@H]1[C@@H]2C=CCC[C@H]12.
What is the InChIKey of (1R,6S,7R)-7-bromobicyclo[4.1.0]hept-2-ene?
The InChIKey is GHPWOLBQKFEFKH-VQVTYTSYSA-N. The full InChI is InChI=1S/C7H9Br/c8-7-5-3-1-2-4-6(5)7/h1,3,5-7H,2,4H2/t5-,6+,7+/m1/s1.
What are the key properties of (1R,6S,7R)-7-bromobicyclo[4.1.0]hept-2-ene?
(1R,6S,7R)-7-bromobicyclo[4.1.0]hept-2-ene has a molecular weight of 173.05 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,7R)-7-bromobicyclo[4.1.0]hept-2-ene is sourced from PubChem (CID 131115214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).