1-bromo-1-[cyclopropyl(cyclopropylidene)methyl]cyclopropane

C10H13Br — CID 12567925

IUPAC1-bromo-1-[cyclopropyl(cyclopropylidene)methyl]cyclopropane
SMILESBrC1(C(=C2CC2)C2CC2)CC1
InChIInChI=1S/C10H13Br/c11-10(5-6-10)9(7-1-2-7)8-3-4-8/h7H,1-6H2
InChIKeyNMGHYGMQYOLJSR-UHFFFAOYSA-N
MW213.12 g/mol
LogP3.41
Rot. Bonds2

About 1-bromo-1-[cyclopropyl(cyclopropylidene)methyl]cyclopropane

1-bromo-1-[cyclopropyl(cyclopropylidene)methyl]cyclopropane (PubChem CID 12567925) has the molecular formula C10H13Br and a molecular weight of 213.12 g/mol. Its IUPAC name is 1-bromo-1-[cyclopropyl(cyclopropylidene)methyl]cyclopropane.

Molecular Properties

Compound Name1-bromo-1-[cyclopropyl(cyclopropylidene)methyl]cyclopropane
PubChem CID12567925
Molecular FormulaC10H13Br
Molecular Weight213.12 g/mol
Exact Mass212.02
IUPAC Name1-bromo-1-[cyclopropyl(cyclopropylidene)methyl]cyclopropane
SMILESBrC1(C(=C2CC2)C2CC2)CC1
InChIInChI=1S/C10H13Br/c11-10(5-6-10)9(7-1-2-7)8-3-4-8/h7H,1-6H2
InChIKeyNMGHYGMQYOLJSR-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.12
LogP ≤ 53.41
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

Dicyclopropylmethylidenecyclopropane
CID 640658
1-Bromo-2-cyclopropylcyclohex-1-ene
CID 134969409
1-Bromo-1-(1-cyclopropylideneethyl)cyclopropane
CID 12567926
1-Bromo-2-(dicyclopropylmethylidene)cyclopropane
CID 13146787
(4-Bromo-1-cyclopropylbut-1-enyl)cyclopropane
CID 18316351
1-Bromo-1-cyclopropylcyclopropane;cyclopropylidenecyclopropane
CID 156638821
1-Bromo-1-[(1-bromocyclopropyl)-cyclopropylidenemethyl]cyclopropane
CID 12567935
1,1'-[(2,2-Dibromocyclopropylidene)methylene]dicyclopropane
CID 13226779
1-(2-Bromoethyl)-2-cyclopropylidenecyclopropane
CID 129924171
Cyclopropane-d, 2-(dicyclopropylmethylene)-
CID 165350111

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-[cyclopropyl(cyclopropylidene)methyl]cyclopropane?
The IUPAC name of 1-bromo-1-[cyclopropyl(cyclopropylidene)methyl]cyclopropane (CID 12567925) is 1-bromo-1-[cyclopropyl(cyclopropylidene)methyl]cyclopropane.
What is the SMILES notation for 1-bromo-1-[cyclopropyl(cyclopropylidene)methyl]cyclopropane?
The canonical SMILES for 1-bromo-1-[cyclopropyl(cyclopropylidene)methyl]cyclopropane is BrC1(C(=C2CC2)C2CC2)CC1.
What is the InChIKey of 1-bromo-1-[cyclopropyl(cyclopropylidene)methyl]cyclopropane?
The InChIKey is NMGHYGMQYOLJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br/c11-10(5-6-10)9(7-1-2-7)8-3-4-8/h7H,1-6H2.
What are the key properties of 1-bromo-1-[cyclopropyl(cyclopropylidene)methyl]cyclopropane?
1-bromo-1-[cyclopropyl(cyclopropylidene)methyl]cyclopropane has a molecular weight of 213.12 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-[cyclopropyl(cyclopropylidene)methyl]cyclopropane is sourced from PubChem (CID 12567925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).