1-bromo-1-cyclopropylcyclopropane;cyclopropylidenecyclopropane

C12H17Br — CID 156638821

IUPAC1-bromo-1-cyclopropylcyclopropane;cyclopropylidenecyclopropane
SMILESBrC1(C2CC2)CC1.C1CC1=C1CC1
InChIInChI=1S/C6H9Br.C6H8/c7-6(3-4-6)5-1-2-5;1-2-5(1)6-3-4-6/h5H,1-4H2;1-4H2
InChIKeyDFSUGGLWTHMMBQ-UHFFFAOYSA-N
MW241.17 g/mol
LogP4.19
Rot. Bonds1

About 1-bromo-1-cyclopropylcyclopropane;cyclopropylidenecyclopropane

1-bromo-1-cyclopropylcyclopropane;cyclopropylidenecyclopropane (PubChem CID 156638821) has the molecular formula C12H17Br and a molecular weight of 241.17 g/mol. Its IUPAC name is 1-bromo-1-cyclopropylcyclopropane;cyclopropylidenecyclopropane.

Molecular Properties

Compound Name1-bromo-1-cyclopropylcyclopropane;cyclopropylidenecyclopropane
PubChem CID156638821
Molecular FormulaC12H17Br
Molecular Weight241.17 g/mol
Exact Mass240.05
IUPAC Name1-bromo-1-cyclopropylcyclopropane;cyclopropylidenecyclopropane
SMILESBrC1(C2CC2)CC1.C1CC1=C1CC1
InChIInChI=1S/C6H9Br.C6H8/c7-6(3-4-6)5-1-2-5;1-2-5(1)6-3-4-6/h5H,1-4H2;1-4H2
InChIKeyDFSUGGLWTHMMBQ-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.17
LogP ≤ 54.19
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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Related Compounds

1-Bromo-1-[cyclopropyl(cyclopropylidene)methyl]cyclopropane
CID 12567925
1-Bromo-2-(dicyclopropylmethylidene)cyclopropane
CID 13146787
1,1'-[(2,2-Dibromocyclopropylidene)methylene]dicyclopropane
CID 13226779

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-cyclopropylcyclopropane;cyclopropylidenecyclopropane?
The IUPAC name of 1-bromo-1-cyclopropylcyclopropane;cyclopropylidenecyclopropane (CID 156638821) is 1-bromo-1-cyclopropylcyclopropane;cyclopropylidenecyclopropane.
What is the SMILES notation for 1-bromo-1-cyclopropylcyclopropane;cyclopropylidenecyclopropane?
The canonical SMILES for 1-bromo-1-cyclopropylcyclopropane;cyclopropylidenecyclopropane is BrC1(C2CC2)CC1.C1CC1=C1CC1.
What is the InChIKey of 1-bromo-1-cyclopropylcyclopropane;cyclopropylidenecyclopropane?
The InChIKey is DFSUGGLWTHMMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Br.C6H8/c7-6(3-4-6)5-1-2-5;1-2-5(1)6-3-4-6/h5H,1-4H2;1-4H2.
What are the key properties of 1-bromo-1-cyclopropylcyclopropane;cyclopropylidenecyclopropane?
1-bromo-1-cyclopropylcyclopropane;cyclopropylidenecyclopropane has a molecular weight of 241.17 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-cyclopropylcyclopropane;cyclopropylidenecyclopropane is sourced from PubChem (CID 156638821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).