spiro[7-azoniabicyclo[2.2.1]heptane-7,1'-azolidin-1-ium]

C10H18N+ — CID 172727655

IUPACspiro[7-azoniabicyclo[2.2.1]heptane-7,1'-azolidin-1-ium]
SMILESC1CC[N+]2(C1)C1CCC2CC1
InChIInChI=1S/C10H18N/c1-2-8-11(7-1)9-3-4-10(11)6-5-9/h9-10H,1-8H2/q+1
InChIKeyJNEIKLZDIKBADP-UHFFFAOYSA-N
MW152.26 g/mol
LogP1.92
Rot. Bonds

About spiro[7-azoniabicyclo[2.2.1]heptane-7,1'-azolidin-1-ium]

spiro[7-azoniabicyclo[2.2.1]heptane-7,1'-azolidin-1-ium] (PubChem CID 172727655) has the molecular formula C10H18N+ and a molecular weight of 152.26 g/mol. Its IUPAC name is spiro[7-azoniabicyclo[2.2.1]heptane-7,1'-azolidin-1-ium].

Molecular Properties

Compound Namespiro[7-azoniabicyclo[2.2.1]heptane-7,1'-azolidin-1-ium]
PubChem CID172727655
Molecular FormulaC10H18N+
Molecular Weight152.26 g/mol
Exact Mass152.14
IUPAC Namespiro[7-azoniabicyclo[2.2.1]heptane-7,1'-azolidin-1-ium]
SMILESC1CC[N+]2(C1)C1CCC2CC1
InChIInChI=1S/C10H18N/c1-2-8-11(7-1)9-3-4-10(11)6-5-9/h9-10H,1-8H2/q+1
InChIKeyJNEIKLZDIKBADP-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

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CID 163780636
1-cyclopentyl-1-methylpyrrolidin-1-ium iodide
CID 118976632
1-cyclodecyl-1-methylpyrrolidin-1-ium
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1-cyclohexyl-4-oxa-1-azoniabicyclo[3.1.0]hexane;methane
CID 88503198
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CID 72943542
propan-2-ol;[(1R,5S)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl] 2-hydroxy-2,2-diphenylacetate;chloride
CID 139200328
1,2-dimethyl-3-azoniaspiro[2.2]pentane
CID 123348703
10-oxido-10-azoniatricyclo[5.2.1.04,10]decane
CID 15249741
5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-carbonitrile
CID 3454607
[2-oxo-1,1-diphenyl-2-[(1R,5S)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl]oxyethyl] 2-hydroxy-2,2-diphenylacetate chloride
CID 118072814

Frequently Asked Questions

What is the IUPAC name of spiro[7-azoniabicyclo[2.2.1]heptane-7,1'-azolidin-1-ium]?
The IUPAC name of spiro[7-azoniabicyclo[2.2.1]heptane-7,1'-azolidin-1-ium] (CID 172727655) is spiro[7-azoniabicyclo[2.2.1]heptane-7,1'-azolidin-1-ium].
What is the SMILES notation for spiro[7-azoniabicyclo[2.2.1]heptane-7,1'-azolidin-1-ium]?
The canonical SMILES for spiro[7-azoniabicyclo[2.2.1]heptane-7,1'-azolidin-1-ium] is C1CC[N+]2(C1)C1CCC2CC1.
What is the InChIKey of spiro[7-azoniabicyclo[2.2.1]heptane-7,1'-azolidin-1-ium]?
The InChIKey is JNEIKLZDIKBADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N/c1-2-8-11(7-1)9-3-4-10(11)6-5-9/h9-10H,1-8H2/q+1.
What are the key properties of spiro[7-azoniabicyclo[2.2.1]heptane-7,1'-azolidin-1-ium]?
spiro[7-azoniabicyclo[2.2.1]heptane-7,1'-azolidin-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[7-azoniabicyclo[2.2.1]heptane-7,1'-azolidin-1-ium] is sourced from PubChem (CID 172727655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).