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

C8H16ClNO — CID 658522

IUPAC4-azoniaspiro[3.5]nonan-2-ol chloride
SMILESOC1C[N+]2(CCCCC2)C1.[Cl-]
InChIInChI=1S/C8H16NO.ClH/c10-8-6-9(7-8)4-2-1-3-5-9;/h8,10H,1-7H2;1H/q+1;/p-1
InChIKeyWUHOOISVAOJLPM-UHFFFAOYSA-M
MW177.67 g/mol
LogP-2.63
Rot. Bonds

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

4-azoniaspiro[3.5]nonan-2-ol chloride (PubChem CID 658522) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 4-azoniaspiro[3.5]nonan-2-ol chloride.

Molecular Properties

Compound Name4-azoniaspiro[3.5]nonan-2-ol chloride
PubChem CID658522
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name4-azoniaspiro[3.5]nonan-2-ol chloride
SMILESOC1C[N+]2(CCCCC2)C1.[Cl-]
InChIInChI=1S/C8H16NO.ClH/c10-8-6-9(7-8)4-2-1-3-5-9;/h8,10H,1-7H2;1H/q+1;/p-1
InChIKeyWUHOOISVAOJLPM-UHFFFAOYSA-M
XLogP-2.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 5-2.63
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 chloride?
The IUPAC name of 4-azoniaspiro[3.5]nonan-2-ol chloride (CID 658522) is 4-azoniaspiro[3.5]nonan-2-ol chloride.
What is the SMILES notation for 4-azoniaspiro[3.5]nonan-2-ol chloride?
The canonical SMILES for 4-azoniaspiro[3.5]nonan-2-ol chloride is OC1C[N+]2(CCCCC2)C1.[Cl-].
What is the InChIKey of 4-azoniaspiro[3.5]nonan-2-ol chloride?
The InChIKey is WUHOOISVAOJLPM-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16NO.ClH/c10-8-6-9(7-8)4-2-1-3-5-9;/h8,10H,1-7H2;1H/q+1;/p-1.
What are the key properties of 4-azoniaspiro[3.5]nonan-2-ol chloride?
4-azoniaspiro[3.5]nonan-2-ol chloride has a molecular weight of 177.67 g/mol, XLogP of -2.63, 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 chloride is sourced from PubChem (CID 658522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).