9-bromo-10-(1-bromocyclopropyl)bicyclo[6.2.0]dec-9-ene

C13H18Br2 — CID 135040730

IUPAC9-bromo-10-(1-bromocyclopropyl)bicyclo[6.2.0]dec-9-ene
SMILESBrC1=C(C2(Br)CC2)C2CCCCCCC12
InChIInChI=1S/C13H18Br2/c14-12-10-6-4-2-1-3-5-9(10)11(12)13(15)7-8-13/h9-10H,1-8H2
InChIKeyCPTFGTHWTIDMMX-UHFFFAOYSA-N
MW334.10 g/mol
LogP5.16
Rot. Bonds1

About 9-bromo-10-(1-bromocyclopropyl)bicyclo[6.2.0]dec-9-ene

9-bromo-10-(1-bromocyclopropyl)bicyclo[6.2.0]dec-9-ene (PubChem CID 135040730) has the molecular formula C13H18Br2 and a molecular weight of 334.10 g/mol. Its IUPAC name is 9-bromo-10-(1-bromocyclopropyl)bicyclo[6.2.0]dec-9-ene.

Molecular Properties

Compound Name9-bromo-10-(1-bromocyclopropyl)bicyclo[6.2.0]dec-9-ene
PubChem CID135040730
Molecular FormulaC13H18Br2
Molecular Weight334.10 g/mol
Exact Mass331.98
IUPAC Name9-bromo-10-(1-bromocyclopropyl)bicyclo[6.2.0]dec-9-ene
SMILESBrC1=C(C2(Br)CC2)C2CCCCCCC12
InChIInChI=1S/C13H18Br2/c14-12-10-6-4-2-1-3-5-9(10)11(12)13(15)7-8-13/h9-10H,1-8H2
InChIKeyCPTFGTHWTIDMMX-UHFFFAOYSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.10
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-bromo-10-(1-bromocyclopropyl)bicyclo[6.2.0]dec-9-ene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-bromo-10-(1-bromocyclopropyl)bicyclo[6.2.0]dec-9-ene?
The IUPAC name of 9-bromo-10-(1-bromocyclopropyl)bicyclo[6.2.0]dec-9-ene (CID 135040730) is 9-bromo-10-(1-bromocyclopropyl)bicyclo[6.2.0]dec-9-ene.
What is the SMILES notation for 9-bromo-10-(1-bromocyclopropyl)bicyclo[6.2.0]dec-9-ene?
The canonical SMILES for 9-bromo-10-(1-bromocyclopropyl)bicyclo[6.2.0]dec-9-ene is BrC1=C(C2(Br)CC2)C2CCCCCCC12.
What is the InChIKey of 9-bromo-10-(1-bromocyclopropyl)bicyclo[6.2.0]dec-9-ene?
The InChIKey is CPTFGTHWTIDMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2/c14-12-10-6-4-2-1-3-5-9(10)11(12)13(15)7-8-13/h9-10H,1-8H2.
What are the key properties of 9-bromo-10-(1-bromocyclopropyl)bicyclo[6.2.0]dec-9-ene?
9-bromo-10-(1-bromocyclopropyl)bicyclo[6.2.0]dec-9-ene has a molecular weight of 334.10 g/mol, XLogP of 5.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-10-(1-bromocyclopropyl)bicyclo[6.2.0]dec-9-ene is sourced from PubChem (CID 135040730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).