7-bromo-7-cyclopropyldispiro[2.0.24.13]heptane

C10H13Br — CID 11052986

IUPAC7-bromo-7-cyclopropyldispiro[2.0.24.13]heptane
SMILESBrC1(C2CC2)C2(CC2)C12CC2
InChIInChI=1S/C10H13Br/c11-10(7-1-2-7)8(3-4-8)9(10)5-6-9/h7H,1-6H2
InChIKeyZDUOIQLTWGUYPP-UHFFFAOYSA-N
MW213.12 g/mol
LogP3.10
Rot. Bonds1

About 7-bromo-7-cyclopropyldispiro[2.0.24.13]heptane

7-bromo-7-cyclopropyldispiro[2.0.24.13]heptane (PubChem CID 11052986) has the molecular formula C10H13Br and a molecular weight of 213.12 g/mol. Its IUPAC name is 7-bromo-7-cyclopropyldispiro[2.0.24.13]heptane.

Molecular Properties

Compound Name7-bromo-7-cyclopropyldispiro[2.0.24.13]heptane
PubChem CID11052986
Molecular FormulaC10H13Br
Molecular Weight213.12 g/mol
Exact Mass212.02
IUPAC Name7-bromo-7-cyclopropyldispiro[2.0.24.13]heptane
SMILESBrC1(C2CC2)C2(CC2)C12CC2
InChIInChI=1S/C10H13Br/c11-10(7-1-2-7)8(3-4-8)9(10)5-6-9/h7H,1-6H2
InChIKeyZDUOIQLTWGUYPP-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.12
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-7-cyclopropyldispiro[2.0.24.13]heptane?
The IUPAC name of 7-bromo-7-cyclopropyldispiro[2.0.24.13]heptane (CID 11052986) is 7-bromo-7-cyclopropyldispiro[2.0.24.13]heptane.
What is the SMILES notation for 7-bromo-7-cyclopropyldispiro[2.0.24.13]heptane?
The canonical SMILES for 7-bromo-7-cyclopropyldispiro[2.0.24.13]heptane is BrC1(C2CC2)C2(CC2)C12CC2.
What is the InChIKey of 7-bromo-7-cyclopropyldispiro[2.0.24.13]heptane?
The InChIKey is ZDUOIQLTWGUYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br/c11-10(7-1-2-7)8(3-4-8)9(10)5-6-9/h7H,1-6H2.
What are the key properties of 7-bromo-7-cyclopropyldispiro[2.0.24.13]heptane?
7-bromo-7-cyclopropyldispiro[2.0.24.13]heptane has a molecular weight of 213.12 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-7-cyclopropyldispiro[2.0.24.13]heptane is sourced from PubChem (CID 11052986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).