4-azoniaspiro[3.5]nonan-2-ol

C8H16NO+ — CID 658523

IUPAC4-azoniaspiro[3.5]nonan-2-ol
SMILESOC1C[N+]2(CCCCC2)C1
InChIInChI=1S/C8H16NO/c10-8-6-9(7-8)4-2-1-3-5-9/h8,10H,1-7H2/q+1
InChIKeyXEHJOSYPNNEARP-UHFFFAOYSA-N
MW142.22 g/mol
LogP0.36
Rot. Bonds

About 4-azoniaspiro[3.5]nonan-2-ol

4-azoniaspiro[3.5]nonan-2-ol (PubChem CID 658523) has the molecular formula C8H16NO+ and a molecular weight of 142.22 g/mol. Its IUPAC name is 4-azoniaspiro[3.5]nonan-2-ol.

Molecular Properties

Compound Name4-azoniaspiro[3.5]nonan-2-ol
PubChem CID658523
Molecular FormulaC8H16NO+
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name4-azoniaspiro[3.5]nonan-2-ol
SMILESOC1C[N+]2(CCCCC2)C1
InChIInChI=1S/C8H16NO/c10-8-6-9(7-8)4-2-1-3-5-9/h8,10H,1-7H2/q+1
InChIKeyXEHJOSYPNNEARP-UHFFFAOYSA-N
XLogP0.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-azoniaspiro[3.5]nonan-2-ol?
The IUPAC name of 4-azoniaspiro[3.5]nonan-2-ol (CID 658523) is 4-azoniaspiro[3.5]nonan-2-ol.
What is the SMILES notation for 4-azoniaspiro[3.5]nonan-2-ol?
The canonical SMILES for 4-azoniaspiro[3.5]nonan-2-ol is OC1C[N+]2(CCCCC2)C1.
What is the InChIKey of 4-azoniaspiro[3.5]nonan-2-ol?
The InChIKey is XEHJOSYPNNEARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO/c10-8-6-9(7-8)4-2-1-3-5-9/h8,10H,1-7H2/q+1.
What are the key properties of 4-azoniaspiro[3.5]nonan-2-ol?
4-azoniaspiro[3.5]nonan-2-ol has a molecular weight of 142.22 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azoniaspiro[3.5]nonan-2-ol is sourced from PubChem (CID 658523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).