7-bromo-5-azaspiro[2.4]heptane

C6H10BrN — CID 130135578

IUPAC7-bromo-5-azaspiro[2.4]heptane
SMILESBrC1CNCC12CC2
InChIInChI=1S/C6H10BrN/c7-5-3-8-4-6(5)1-2-6/h5,8H,1-4H2
InChIKeyAVAUQRKAHBXNAU-UHFFFAOYSA-N
MW176.06 g/mol
LogP1.13
Rot. Bonds

About 7-bromo-5-azaspiro[2.4]heptane

7-bromo-5-azaspiro[2.4]heptane (PubChem CID 130135578) has the molecular formula C6H10BrN and a molecular weight of 176.06 g/mol. Its IUPAC name is 7-bromo-5-azaspiro[2.4]heptane.

Molecular Properties

Compound Name7-bromo-5-azaspiro[2.4]heptane
PubChem CID130135578
Molecular FormulaC6H10BrN
Molecular Weight176.06 g/mol
Exact Mass175.00
IUPAC Name7-bromo-5-azaspiro[2.4]heptane
SMILESBrC1CNCC12CC2
InChIInChI=1S/C6H10BrN/c7-5-3-8-4-6(5)1-2-6/h5,8H,1-4H2
InChIKeyAVAUQRKAHBXNAU-UHFFFAOYSA-N
XLogP1.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.06
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-bromo-5-azaspiro[2.4]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-azaspiro[2.4]heptane?
The IUPAC name of 7-bromo-5-azaspiro[2.4]heptane (CID 130135578) is 7-bromo-5-azaspiro[2.4]heptane.
What is the SMILES notation for 7-bromo-5-azaspiro[2.4]heptane?
The canonical SMILES for 7-bromo-5-azaspiro[2.4]heptane is BrC1CNCC12CC2.
What is the InChIKey of 7-bromo-5-azaspiro[2.4]heptane?
The InChIKey is AVAUQRKAHBXNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrN/c7-5-3-8-4-6(5)1-2-6/h5,8H,1-4H2.
What are the key properties of 7-bromo-5-azaspiro[2.4]heptane?
7-bromo-5-azaspiro[2.4]heptane has a molecular weight of 176.06 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-azaspiro[2.4]heptane is sourced from PubChem (CID 130135578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).