spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azetidin-1-ium]

C10H18N+ — CID 151841451

IUPACspiro[8-azoniabicyclo[3.2.1]octane-8,1'-azetidin-1-ium]
SMILESC1CC2CCC(C1)[N+]21CCC1
InChIInChI=1S/C10H18N/c1-3-9-5-6-10(4-1)11(9)7-2-8-11/h9-10H,1-8H2/q+1
InChIKeySGSXOXYBVKJQCY-UHFFFAOYSA-N
MW152.26 g/mol
LogP1.92
Rot. Bonds

About spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azetidin-1-ium]

spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azetidin-1-ium] (PubChem CID 151841451) has the molecular formula C10H18N+ and a molecular weight of 152.26 g/mol. Its IUPAC name is spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azetidin-1-ium].

Molecular Properties

Compound Namespiro[8-azoniabicyclo[3.2.1]octane-8,1'-azetidin-1-ium]
PubChem CID151841451
Molecular FormulaC10H18N+
Molecular Weight152.26 g/mol
Exact Mass152.14
IUPAC Namespiro[8-azoniabicyclo[3.2.1]octane-8,1'-azetidin-1-ium]
SMILESC1CC2CCC(C1)[N+]21CCC1
InChIInChI=1S/C10H18N/c1-3-9-5-6-10(4-1)11(9)7-2-8-11/h9-10H,1-8H2/q+1
InChIKeySGSXOXYBVKJQCY-UHFFFAOYSA-N
XLogP1.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 51.92
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

spiro[7-azoniabicyclo[2.2.1]heptane-7,1'-azolidin-1-ium]
CID 172727655
1-cyclohexyl-4-oxa-1-azoniabicyclo[3.1.0]hexane;methane
CID 88503198
1-ethyl-1-[4-(1-ethylpiperidin-1-ium-1-yl)cyclohexyl]piperidin-1-ium
CID 169210130
8-methyl-8-[4-(8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)butyl]-8-azoniabicyclo[3.2.1]octane
CID 102038280
cyclopentane-1,2-dicarbonitrile
CID 19807606
2,4-dimethyl-3-azoniaspiro[2.4]heptane
CID 163780636
1-cyclodecyl-1-methylpyrrolidin-1-ium
CID 20725318
1-cyclopentyl-1-methylpyrrolidin-1-ium iodide
CID 118976632
(1S,11S)-11-methyl-11-azoniatricyclo[4.4.1.03,11]undecane
CID 170413130
1-cyclooct-4-en-1-yl-1-ethylpiperidin-1-ium
CID 174233536
4-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium
CID 90395187
(1S,2S,3S,4S)-1,4-bis(hydroxymethyl)-5-azoniaspiro[4.4]nonane-2,3-diol
CID 72943542

Frequently Asked Questions

What is the IUPAC name of spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azetidin-1-ium]?
The IUPAC name of spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azetidin-1-ium] (CID 151841451) is spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azetidin-1-ium].
What is the SMILES notation for spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azetidin-1-ium]?
The canonical SMILES for spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azetidin-1-ium] is C1CC2CCC(C1)[N+]21CCC1.
What is the InChIKey of spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azetidin-1-ium]?
The InChIKey is SGSXOXYBVKJQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N/c1-3-9-5-6-10(4-1)11(9)7-2-8-11/h9-10H,1-8H2/q+1.
What are the key properties of spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azetidin-1-ium]?
spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azetidin-1-ium] has a molecular weight of 152.26 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azetidin-1-ium] is sourced from PubChem (CID 151841451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).