5-bromo-6-phenylbicyclo[2.2.1]hept-2-ene

C13H13Br — CID 67143364

IUPAC5-bromo-6-phenylbicyclo[2.2.1]hept-2-ene
SMILESBrC1C2C=CC(C2)C1c1ccccc1
InChIInChI=1S/C13H13Br/c14-13-11-7-6-10(8-11)12(13)9-4-2-1-3-5-9/h1-7,10-13H,8H2
InChIKeyUQBWZXHQCHIHFV-UHFFFAOYSA-N
MW249.15 g/mol
LogP3.74
Rot. Bonds1

About 5-bromo-6-phenylbicyclo[2.2.1]hept-2-ene

5-bromo-6-phenylbicyclo[2.2.1]hept-2-ene (PubChem CID 67143364) has the molecular formula C13H13Br and a molecular weight of 249.15 g/mol. Its IUPAC name is 5-bromo-6-phenylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-bromo-6-phenylbicyclo[2.2.1]hept-2-ene
PubChem CID67143364
Molecular FormulaC13H13Br
Molecular Weight249.15 g/mol
Exact Mass248.02
IUPAC Name5-bromo-6-phenylbicyclo[2.2.1]hept-2-ene
SMILESBrC1C2C=CC(C2)C1c1ccccc1
InChIInChI=1S/C13H13Br/c14-13-11-7-6-10(8-11)12(13)9-4-2-1-3-5-9/h1-7,10-13H,8H2
InChIKeyUQBWZXHQCHIHFV-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.15
LogP ≤ 53.74
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'}

Analyze 5-bromo-6-phenylbicyclo[2.2.1]hept-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S,3S)-2-bromo-3-phenylcyclopropyl]benzene
CID 135038673
2-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxolane
CID 72810386
(1R,2R,4S,5S)-2,4-diphenylbicyclo[3.2.1]oct-6-en-3-one
CID 10978676
(1S,2R,9S,10R)-tetracyclo[8.2.1.02,9.03,8]trideca-3,5,7,11-tetraene
CID 11095035
phenyl-[(1R,2R,3S,4R)-3-phenyl-2-bicyclo[2.2.1]hept-5-enyl]methanone
CID 99951737
2,2,2-trifluoro-1-[(1R,2S,3S,4S)-3-phenyl-2-bicyclo[2.2.1]hept-5-enyl]ethanone
CID 101128587
3-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)propanoic acid
CID 91467684
2,3-diphenylcyclopropan-1-ol
CID 15400659
benzyl (1S,2R,3R,4R)-3-phenylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 11055843
[(1R,2R,3R,4S)-3-phenyl-2-bicyclo[2.2.1]hept-5-enyl]-pyridin-2-ylmethanone
CID 102003806
[(1S,2S,3S,4R)-3-phenyl-2-bicyclo[2.2.1]hept-5-enyl]-pyridin-2-ylmethanone
CID 102003805
(1S,2R,11S,12R)-tetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione
CID 139055633

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-phenylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-bromo-6-phenylbicyclo[2.2.1]hept-2-ene (CID 67143364) is 5-bromo-6-phenylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-bromo-6-phenylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-bromo-6-phenylbicyclo[2.2.1]hept-2-ene is BrC1C2C=CC(C2)C1c1ccccc1.
What is the InChIKey of 5-bromo-6-phenylbicyclo[2.2.1]hept-2-ene?
The InChIKey is UQBWZXHQCHIHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br/c14-13-11-7-6-10(8-11)12(13)9-4-2-1-3-5-9/h1-7,10-13H,8H2.
What are the key properties of 5-bromo-6-phenylbicyclo[2.2.1]hept-2-ene?
5-bromo-6-phenylbicyclo[2.2.1]hept-2-ene has a molecular weight of 249.15 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-phenylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 67143364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).