7-aza-4-azoniatricyclo[5.2.0.01,4]nonane iodide

C7H13IN2 — CID 154551315

IUPAC7-aza-4-azoniatricyclo[5.2.0.01,4]nonane iodide
SMILESC1C[NH+]2CCC23CCN13.[I-]
InChIInChI=1S/C7H12N2.HI/c1-3-8-5-6-9-4-2-7(1,8)9;/h1-6H2;1H
InChIKeyKZWOHRDRNUHHEK-UHFFFAOYSA-N
MW252.10 g/mol
LogP-4.31
Rot. Bonds

About 7-aza-4-azoniatricyclo[5.2.0.01,4]nonane iodide

7-aza-4-azoniatricyclo[5.2.0.01,4]nonane iodide (PubChem CID 154551315) has the molecular formula C7H13IN2 and a molecular weight of 252.10 g/mol. Its IUPAC name is 7-aza-4-azoniatricyclo[5.2.0.01,4]nonane iodide.

Molecular Properties

Compound Name7-aza-4-azoniatricyclo[5.2.0.01,4]nonane iodide
PubChem CID154551315
Molecular FormulaC7H13IN2
Molecular Weight252.10 g/mol
Exact Mass252.01
IUPAC Name7-aza-4-azoniatricyclo[5.2.0.01,4]nonane iodide
SMILESC1C[NH+]2CCC23CCN13.[I-]
InChIInChI=1S/C7H12N2.HI/c1-3-8-5-6-9-4-2-7(1,8)9;/h1-6H2;1H
InChIKeyKZWOHRDRNUHHEK-UHFFFAOYSA-N
XLogP-4.31
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.10
LogP ≤ 5-4.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-aza-4-azoniatricyclo[5.2.0.01,4]nonane iodide?
The IUPAC name of 7-aza-4-azoniatricyclo[5.2.0.01,4]nonane iodide (CID 154551315) is 7-aza-4-azoniatricyclo[5.2.0.01,4]nonane iodide.
What is the SMILES notation for 7-aza-4-azoniatricyclo[5.2.0.01,4]nonane iodide?
The canonical SMILES for 7-aza-4-azoniatricyclo[5.2.0.01,4]nonane iodide is C1C[NH+]2CCC23CCN13.[I-].
What is the InChIKey of 7-aza-4-azoniatricyclo[5.2.0.01,4]nonane iodide?
The InChIKey is KZWOHRDRNUHHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.HI/c1-3-8-5-6-9-4-2-7(1,8)9;/h1-6H2;1H.
What are the key properties of 7-aza-4-azoniatricyclo[5.2.0.01,4]nonane iodide?
7-aza-4-azoniatricyclo[5.2.0.01,4]nonane iodide has a molecular weight of 252.10 g/mol, XLogP of -4.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-aza-4-azoniatricyclo[5.2.0.01,4]nonane iodide is sourced from PubChem (CID 154551315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).