1-bromo-1-(1-cyclopropylideneethyl)cyclopropane

C8H11Br — CID 12567926

IUPAC1-bromo-1-(1-cyclopropylideneethyl)cyclopropane
SMILESCC(=C1CC1)C1(Br)CC1
InChIInChI=1S/C8H11Br/c1-6(7-2-3-7)8(9)4-5-8/h2-5H2,1H3
InChIKeyQVXHIXYUBKSMSY-UHFFFAOYSA-N
MW187.08 g/mol
LogP3.02
Rot. Bonds1

About 1-bromo-1-(1-cyclopropylideneethyl)cyclopropane

1-bromo-1-(1-cyclopropylideneethyl)cyclopropane (PubChem CID 12567926) has the molecular formula C8H11Br and a molecular weight of 187.08 g/mol. Its IUPAC name is 1-bromo-1-(1-cyclopropylideneethyl)cyclopropane.

Molecular Properties

Compound Name1-bromo-1-(1-cyclopropylideneethyl)cyclopropane
PubChem CID12567926
Molecular FormulaC8H11Br
Molecular Weight187.08 g/mol
Exact Mass186.00
IUPAC Name1-bromo-1-(1-cyclopropylideneethyl)cyclopropane
SMILESCC(=C1CC1)C1(Br)CC1
InChIInChI=1S/C8H11Br/c1-6(7-2-3-7)8(9)4-5-8/h2-5H2,1H3
InChIKeyQVXHIXYUBKSMSY-UHFFFAOYSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.08
LogP ≤ 53.02
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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Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-(1-cyclopropylideneethyl)cyclopropane?
The IUPAC name of 1-bromo-1-(1-cyclopropylideneethyl)cyclopropane (CID 12567926) is 1-bromo-1-(1-cyclopropylideneethyl)cyclopropane.
What is the SMILES notation for 1-bromo-1-(1-cyclopropylideneethyl)cyclopropane?
The canonical SMILES for 1-bromo-1-(1-cyclopropylideneethyl)cyclopropane is CC(=C1CC1)C1(Br)CC1.
What is the InChIKey of 1-bromo-1-(1-cyclopropylideneethyl)cyclopropane?
The InChIKey is QVXHIXYUBKSMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Br/c1-6(7-2-3-7)8(9)4-5-8/h2-5H2,1H3.
What are the key properties of 1-bromo-1-(1-cyclopropylideneethyl)cyclopropane?
1-bromo-1-(1-cyclopropylideneethyl)cyclopropane has a molecular weight of 187.08 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-(1-cyclopropylideneethyl)cyclopropane is sourced from PubChem (CID 12567926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).