1-azoniatricyclo[1.1.1.11,3]hexane

C5H8N+ — CID 66628973

IUPAC1-azoniatricyclo[1.1.1.11,3]hexane
SMILESC1C23C[N+]1(C2)C3
InChIInChI=1S/C5H8N/c1-5-2-6(1,3-5)4-5/h1-4H2/q+1
InChIKeyGWEBOPJWQXONQT-UHFFFAOYSA-N
MW82.13 g/mol
LogP-0.17
Rot. Bonds

About 1-azoniatricyclo[1.1.1.11,3]hexane

1-azoniatricyclo[1.1.1.11,3]hexane (PubChem CID 66628973) has the molecular formula C5H8N+ and a molecular weight of 82.13 g/mol. Its IUPAC name is 1-azoniatricyclo[1.1.1.11,3]hexane.

Molecular Properties

Compound Name1-azoniatricyclo[1.1.1.11,3]hexane
PubChem CID66628973
Molecular FormulaC5H8N+
Molecular Weight82.13 g/mol
Exact Mass82.07
IUPAC Name1-azoniatricyclo[1.1.1.11,3]hexane
SMILESC1C23C[N+]1(C2)C3
InChIInChI=1S/C5H8N/c1-5-2-6(1,3-5)4-5/h1-4H2/q+1
InChIKeyGWEBOPJWQXONQT-UHFFFAOYSA-N
XLogP-0.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.13
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-azoniatricyclo[1.1.1.11,3]hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-azoniatricyclo[1.1.1.11,3]hexane?
The IUPAC name of 1-azoniatricyclo[1.1.1.11,3]hexane (CID 66628973) is 1-azoniatricyclo[1.1.1.11,3]hexane.
What is the SMILES notation for 1-azoniatricyclo[1.1.1.11,3]hexane?
The canonical SMILES for 1-azoniatricyclo[1.1.1.11,3]hexane is C1C23C[N+]1(C2)C3.
What is the InChIKey of 1-azoniatricyclo[1.1.1.11,3]hexane?
The InChIKey is GWEBOPJWQXONQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N/c1-5-2-6(1,3-5)4-5/h1-4H2/q+1.
What are the key properties of 1-azoniatricyclo[1.1.1.11,3]hexane?
1-azoniatricyclo[1.1.1.11,3]hexane has a molecular weight of 82.13 g/mol, XLogP of -0.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azoniatricyclo[1.1.1.11,3]hexane is sourced from PubChem (CID 66628973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).