1-bromo-2-methylidenespiro[2.4]heptane

C8H11Br — CID 71396143

IUPAC1-bromo-2-methylidenespiro[2.4]heptane
SMILESC=C1C(Br)C12CCCC2
InChIInChI=1S/C8H11Br/c1-6-7(9)8(6)4-2-3-5-8/h7H,1-5H2
InChIKeyLNEDGMHCRZPQFO-UHFFFAOYSA-N
MW187.08 g/mol
LogP2.88
Rot. Bonds

About 1-bromo-2-methylidenespiro[2.4]heptane

1-bromo-2-methylidenespiro[2.4]heptane (PubChem CID 71396143) has the molecular formula C8H11Br and a molecular weight of 187.08 g/mol. Its IUPAC name is 1-bromo-2-methylidenespiro[2.4]heptane.

Molecular Properties

Compound Name1-bromo-2-methylidenespiro[2.4]heptane
PubChem CID71396143
Molecular FormulaC8H11Br
Molecular Weight187.08 g/mol
Exact Mass186.00
IUPAC Name1-bromo-2-methylidenespiro[2.4]heptane
SMILESC=C1C(Br)C12CCCC2
InChIInChI=1S/C8H11Br/c1-6-7(9)8(6)4-2-3-5-8/h7H,1-5H2
InChIKeyLNEDGMHCRZPQFO-UHFFFAOYSA-N
XLogP2.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.08
LogP ≤ 52.88
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-2-methylidenespiro[2.4]heptane?
The IUPAC name of 1-bromo-2-methylidenespiro[2.4]heptane (CID 71396143) is 1-bromo-2-methylidenespiro[2.4]heptane.
What is the SMILES notation for 1-bromo-2-methylidenespiro[2.4]heptane?
The canonical SMILES for 1-bromo-2-methylidenespiro[2.4]heptane is C=C1C(Br)C12CCCC2.
What is the InChIKey of 1-bromo-2-methylidenespiro[2.4]heptane?
The InChIKey is LNEDGMHCRZPQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Br/c1-6-7(9)8(6)4-2-3-5-8/h7H,1-5H2.
What are the key properties of 1-bromo-2-methylidenespiro[2.4]heptane?
1-bromo-2-methylidenespiro[2.4]heptane has a molecular weight of 187.08 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-methylidenespiro[2.4]heptane is sourced from PubChem (CID 71396143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).