5-azoniaspiro[2.4]heptane

C6H12N+ — CID 86330225

IUPAC5-azoniaspiro[2.4]heptane
SMILESC1CC2(CC2)C[NH2+]1
InChIInChI=1S/C6H11N/c1-2-6(1)3-4-7-5-6/h7H,1-5H2/p+1
InChIKeyHOXWESKAHYABGO-UHFFFAOYSA-O
MW98.17 g/mol
LogP-0.27
Rot. Bonds

About 5-azoniaspiro[2.4]heptane

5-azoniaspiro[2.4]heptane (PubChem CID 86330225) has the molecular formula C6H12N+ and a molecular weight of 98.17 g/mol. Its IUPAC name is 5-azoniaspiro[2.4]heptane.

Molecular Properties

Compound Name5-azoniaspiro[2.4]heptane
PubChem CID86330225
Molecular FormulaC6H12N+
Molecular Weight98.17 g/mol
Exact Mass98.10
IUPAC Name5-azoniaspiro[2.4]heptane
SMILESC1CC2(CC2)C[NH2+]1
InChIInChI=1S/C6H11N/c1-2-6(1)3-4-7-5-6/h7H,1-5H2/p+1
InChIKeyHOXWESKAHYABGO-UHFFFAOYSA-O
XLogP-0.27
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.17
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-azoniaspiro[2.4]heptane?
The IUPAC name of 5-azoniaspiro[2.4]heptane (CID 86330225) is 5-azoniaspiro[2.4]heptane.
What is the SMILES notation for 5-azoniaspiro[2.4]heptane?
The canonical SMILES for 5-azoniaspiro[2.4]heptane is C1CC2(CC2)C[NH2+]1.
What is the InChIKey of 5-azoniaspiro[2.4]heptane?
The InChIKey is HOXWESKAHYABGO-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H11N/c1-2-6(1)3-4-7-5-6/h7H,1-5H2/p+1.
What are the key properties of 5-azoniaspiro[2.4]heptane?
5-azoniaspiro[2.4]heptane has a molecular weight of 98.17 g/mol, XLogP of -0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azoniaspiro[2.4]heptane is sourced from PubChem (CID 86330225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).