7-(2-bromoethyl)spiro[2.4]heptane

C9H15Br — CID 154809650

IUPAC7-(2-bromoethyl)spiro[2.4]heptane
SMILESBrCCC1CCCC12CC2
InChIInChI=1S/C9H15Br/c10-7-3-8-2-1-4-9(8)5-6-9/h8H,1-7H2
InChIKeyKVXHHCCNRHFHIH-UHFFFAOYSA-N
MW203.12 g/mol
LogP3.35
Rot. Bonds2

About 7-(2-bromoethyl)spiro[2.4]heptane

7-(2-bromoethyl)spiro[2.4]heptane (PubChem CID 154809650) has the molecular formula C9H15Br and a molecular weight of 203.12 g/mol. Its IUPAC name is 7-(2-bromoethyl)spiro[2.4]heptane.

Molecular Properties

Compound Name7-(2-bromoethyl)spiro[2.4]heptane
PubChem CID154809650
Molecular FormulaC9H15Br
Molecular Weight203.12 g/mol
Exact Mass202.04
IUPAC Name7-(2-bromoethyl)spiro[2.4]heptane
SMILESBrCCC1CCCC12CC2
InChIInChI=1S/C9H15Br/c10-7-3-8-2-1-4-9(8)5-6-9/h8H,1-7H2
InChIKeyKVXHHCCNRHFHIH-UHFFFAOYSA-N
XLogP3.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 53.35
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-(2-bromoethyl)spiro[2.4]heptane?
The IUPAC name of 7-(2-bromoethyl)spiro[2.4]heptane (CID 154809650) is 7-(2-bromoethyl)spiro[2.4]heptane.
What is the SMILES notation for 7-(2-bromoethyl)spiro[2.4]heptane?
The canonical SMILES for 7-(2-bromoethyl)spiro[2.4]heptane is BrCCC1CCCC12CC2.
What is the InChIKey of 7-(2-bromoethyl)spiro[2.4]heptane?
The InChIKey is KVXHHCCNRHFHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Br/c10-7-3-8-2-1-4-9(8)5-6-9/h8H,1-7H2.
What are the key properties of 7-(2-bromoethyl)spiro[2.4]heptane?
7-(2-bromoethyl)spiro[2.4]heptane has a molecular weight of 203.12 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-bromoethyl)spiro[2.4]heptane is sourced from PubChem (CID 154809650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).