1-bromo-2-cyclopropylcyclohexene

C9H13Br — CID 134969409

IUPAC1-bromo-2-cyclopropylcyclohexene
SMILESBrC1=C(C2CC2)CCCC1
InChIInChI=1S/C9H13Br/c10-9-4-2-1-3-8(9)7-5-6-7/h7H,1-6H2
InChIKeyHOXCMLZCACHHBX-UHFFFAOYSA-N
MW201.11 g/mol
LogP3.62
Rot. Bonds1

About 1-bromo-2-cyclopropylcyclohexene

1-bromo-2-cyclopropylcyclohexene (PubChem CID 134969409) has the molecular formula C9H13Br and a molecular weight of 201.11 g/mol. Its IUPAC name is 1-bromo-2-cyclopropylcyclohexene.

Molecular Properties

Compound Name1-bromo-2-cyclopropylcyclohexene
PubChem CID134969409
Molecular FormulaC9H13Br
Molecular Weight201.11 g/mol
Exact Mass200.02
IUPAC Name1-bromo-2-cyclopropylcyclohexene
SMILESBrC1=C(C2CC2)CCCC1
InChIInChI=1S/C9H13Br/c10-9-4-2-1-3-8(9)7-5-6-7/h7H,1-6H2
InChIKeyHOXCMLZCACHHBX-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.11
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-cyclopropylcyclohexene?
The IUPAC name of 1-bromo-2-cyclopropylcyclohexene (CID 134969409) is 1-bromo-2-cyclopropylcyclohexene.
What is the SMILES notation for 1-bromo-2-cyclopropylcyclohexene?
The canonical SMILES for 1-bromo-2-cyclopropylcyclohexene is BrC1=C(C2CC2)CCCC1.
What is the InChIKey of 1-bromo-2-cyclopropylcyclohexene?
The InChIKey is HOXCMLZCACHHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Br/c10-9-4-2-1-3-8(9)7-5-6-7/h7H,1-6H2.
What are the key properties of 1-bromo-2-cyclopropylcyclohexene?
1-bromo-2-cyclopropylcyclohexene has a molecular weight of 201.11 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-cyclopropylcyclohexene is sourced from PubChem (CID 134969409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).