1-bromo-2-(dicyclopropylmethylidene)cyclopropane

C10H13Br — CID 13146787

IUPAC1-bromo-2-(dicyclopropylmethylidene)cyclopropane
SMILESBrC1CC1=C(C1CC1)C1CC1
InChIInChI=1S/C10H13Br/c11-9-5-8(9)10(6-1-2-6)7-3-4-7/h6-7,9H,1-5H2
InChIKeyDEUBWGXFHTWULQ-UHFFFAOYSA-N
MW213.12 g/mol
LogP3.27
Rot. Bonds2

About 1-bromo-2-(dicyclopropylmethylidene)cyclopropane

1-bromo-2-(dicyclopropylmethylidene)cyclopropane (PubChem CID 13146787) has the molecular formula C10H13Br and a molecular weight of 213.12 g/mol. Its IUPAC name is 1-bromo-2-(dicyclopropylmethylidene)cyclopropane.

Molecular Properties

Compound Name1-bromo-2-(dicyclopropylmethylidene)cyclopropane
PubChem CID13146787
Molecular FormulaC10H13Br
Molecular Weight213.12 g/mol
Exact Mass212.02
IUPAC Name1-bromo-2-(dicyclopropylmethylidene)cyclopropane
SMILESBrC1CC1=C(C1CC1)C1CC1
InChIInChI=1S/C10H13Br/c11-9-5-8(9)10(6-1-2-6)7-3-4-7/h6-7,9H,1-5H2
InChIKeyDEUBWGXFHTWULQ-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
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
(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

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(dicyclopropylmethylidene)cyclopropane?
The IUPAC name of 1-bromo-2-(dicyclopropylmethylidene)cyclopropane (CID 13146787) is 1-bromo-2-(dicyclopropylmethylidene)cyclopropane.
What is the SMILES notation for 1-bromo-2-(dicyclopropylmethylidene)cyclopropane?
The canonical SMILES for 1-bromo-2-(dicyclopropylmethylidene)cyclopropane is BrC1CC1=C(C1CC1)C1CC1.
What is the InChIKey of 1-bromo-2-(dicyclopropylmethylidene)cyclopropane?
The InChIKey is DEUBWGXFHTWULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br/c11-9-5-8(9)10(6-1-2-6)7-3-4-7/h6-7,9H,1-5H2.
What are the key properties of 1-bromo-2-(dicyclopropylmethylidene)cyclopropane?
1-bromo-2-(dicyclopropylmethylidene)cyclopropane has a molecular weight of 213.12 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(dicyclopropylmethylidene)cyclopropane is sourced from PubChem (CID 13146787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).