5-azoniaspiro[4.4]nonane;chloride;hydrate

C8H18ClNO — CID 139201464

IUPAC5-azoniaspiro[4.4]nonane;chloride;hydrate
SMILESC1CC[N+]2(C1)CCCC2.O.[Cl-]
InChIInChI=1S/C8H16N.ClH.H2O/c1-2-6-9(5-1)7-3-4-8-9;;/h1-8H2;1H;1H2/q+1;;/p-1
InChIKeyPPFZGCWDSDVOBW-UHFFFAOYSA-M
MW179.69 g/mol
LogP-2.43
Rot. Bonds

About 5-azoniaspiro[4.4]nonane;chloride;hydrate

5-azoniaspiro[4.4]nonane;chloride;hydrate (PubChem CID 139201464) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is 5-azoniaspiro[4.4]nonane;chloride;hydrate.

Molecular Properties

Compound Name5-azoniaspiro[4.4]nonane;chloride;hydrate
PubChem CID139201464
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name5-azoniaspiro[4.4]nonane;chloride;hydrate
SMILESC1CC[N+]2(C1)CCCC2.O.[Cl-]
InChIInChI=1S/C8H16N.ClH.H2O/c1-2-6-9(5-1)7-3-4-8-9;;/h1-8H2;1H;1H2/q+1;;/p-1
InChIKeyPPFZGCWDSDVOBW-UHFFFAOYSA-M
XLogP-2.43
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 5-2.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-azoniaspiro[3.5]nonane bromide
CID 120999991
3-oxa-6-azoniaspiro[5.6]dodecane
CID 4102541
8,9-dimethyl-5-azoniaspiro[4.6]undecane
CID 121299550
4-azoniaspiro[3.5]nonan-2-ol chloride
CID 658522
5-azoniaspiro[4.5]decane acetate
CID 139511127
7-oxa-5-azoniaspiro[4.5]decane
CID 58827450
5-azoniaspiro[4.5]decane;N-cyano-1,1,1-trifluoromethanesulfonamide
CID 161425189
2-methyl-2-aza-5-azoniaspiro[4.4]nonane
CID 162288915
2,3-diethyl-5-azoniaspiro[4.5]decane
CID 20676422
5-azoniaspiro[4.4]nonan-3-ol hydroxide
CID 175828407
5-azoniaspiro[4.5]decan-3-ol
CID 152942581
2,4-dimethyl-6-azoniaspiro[5.5]undecane bromide
CID 171336385

Frequently Asked Questions

What is the IUPAC name of 5-azoniaspiro[4.4]nonane;chloride;hydrate?
The IUPAC name of 5-azoniaspiro[4.4]nonane;chloride;hydrate (CID 139201464) is 5-azoniaspiro[4.4]nonane;chloride;hydrate.
What is the SMILES notation for 5-azoniaspiro[4.4]nonane;chloride;hydrate?
The canonical SMILES for 5-azoniaspiro[4.4]nonane;chloride;hydrate is C1CC[N+]2(C1)CCCC2.O.[Cl-].
What is the InChIKey of 5-azoniaspiro[4.4]nonane;chloride;hydrate?
The InChIKey is PPFZGCWDSDVOBW-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16N.ClH.H2O/c1-2-6-9(5-1)7-3-4-8-9;;/h1-8H2;1H;1H2/q+1;;/p-1.
What are the key properties of 5-azoniaspiro[4.4]nonane;chloride;hydrate?
5-azoniaspiro[4.4]nonane;chloride;hydrate has a molecular weight of 179.69 g/mol, XLogP of -2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azoniaspiro[4.4]nonane;chloride;hydrate is sourced from PubChem (CID 139201464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).