5-azaspiro[2.4]heptane;hydrobromide

C6H12BrN — CID 156786428

IUPAC5-azaspiro[2.4]heptane;hydrobromide
SMILESBr.C1CC2(CC2)CN1
InChIInChI=1S/C6H11N.BrH/c1-2-6(1)3-4-7-5-6;/h7H,1-5H2;1H
InChIKeyYULPGWZVJZRHND-UHFFFAOYSA-N
MW178.07 g/mol
LogP1.34
Rot. Bonds

About 5-azaspiro[2.4]heptane;hydrobromide

5-azaspiro[2.4]heptane;hydrobromide (PubChem CID 156786428) has the molecular formula C6H12BrN and a molecular weight of 178.07 g/mol. Its IUPAC name is 5-azaspiro[2.4]heptane;hydrobromide.

Molecular Properties

Compound Name5-azaspiro[2.4]heptane;hydrobromide
PubChem CID156786428
Molecular FormulaC6H12BrN
Molecular Weight178.07 g/mol
Exact Mass177.02
IUPAC Name5-azaspiro[2.4]heptane;hydrobromide
SMILESBr.C1CC2(CC2)CN1
InChIInChI=1S/C6H11N.BrH/c1-2-6(1)3-4-7-5-6;/h7H,1-5H2;1H
InChIKeyYULPGWZVJZRHND-UHFFFAOYSA-N
XLogP1.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.07
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-azaspiro[2.4]heptane;hydrobromide 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 5-azaspiro[2.4]heptane;hydrobromide?
The IUPAC name of 5-azaspiro[2.4]heptane;hydrobromide (CID 156786428) is 5-azaspiro[2.4]heptane;hydrobromide.
What is the SMILES notation for 5-azaspiro[2.4]heptane;hydrobromide?
The canonical SMILES for 5-azaspiro[2.4]heptane;hydrobromide is Br.C1CC2(CC2)CN1.
What is the InChIKey of 5-azaspiro[2.4]heptane;hydrobromide?
The InChIKey is YULPGWZVJZRHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.BrH/c1-2-6(1)3-4-7-5-6;/h7H,1-5H2;1H.
What are the key properties of 5-azaspiro[2.4]heptane;hydrobromide?
5-azaspiro[2.4]heptane;hydrobromide has a molecular weight of 178.07 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azaspiro[2.4]heptane;hydrobromide is sourced from PubChem (CID 156786428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).