9,9-dimethyl-9-azoniabicyclo[3.3.1]non-2-ene iodide

C10H18IN — CID 90481943

IUPAC9,9-dimethyl-9-azoniabicyclo[3.3.1]non-2-ene iodide
SMILESC[N+]1(C)C2C=CCC1CCC2.[I-]
InChIInChI=1S/C10H18N.HI/c1-11(2)9-5-3-6-10(11)8-4-7-9;/h3,5,9-10H,4,6-8H2,1-2H3;1H/q+1;/p-1
InChIKeyQZVAMKOROGXMTQ-UHFFFAOYSA-M
MW279.16 g/mol
LogP-1.05
Rot. Bonds

About 9,9-dimethyl-9-azoniabicyclo[3.3.1]non-2-ene iodide

9,9-dimethyl-9-azoniabicyclo[3.3.1]non-2-ene iodide (PubChem CID 90481943) has the molecular formula C10H18IN and a molecular weight of 279.16 g/mol. Its IUPAC name is 9,9-dimethyl-9-azoniabicyclo[3.3.1]non-2-ene iodide.

Molecular Properties

Compound Name9,9-dimethyl-9-azoniabicyclo[3.3.1]non-2-ene iodide
PubChem CID90481943
Molecular FormulaC10H18IN
Molecular Weight279.16 g/mol
Exact Mass279.05
IUPAC Name9,9-dimethyl-9-azoniabicyclo[3.3.1]non-2-ene iodide
SMILESC[N+]1(C)C2C=CCC1CCC2.[I-]
InChIInChI=1S/C10H18N.HI/c1-11(2)9-5-3-6-10(11)8-4-7-9;/h3,5,9-10H,4,6-8H2,1-2H3;1H/q+1;/p-1
InChIKeyQZVAMKOROGXMTQ-UHFFFAOYSA-M
XLogP-1.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.16
LogP ≤ 5-1.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-9-azoniabicyclo[3.3.1]non-2-ene iodide?
The IUPAC name of 9,9-dimethyl-9-azoniabicyclo[3.3.1]non-2-ene iodide (CID 90481943) is 9,9-dimethyl-9-azoniabicyclo[3.3.1]non-2-ene iodide.
What is the SMILES notation for 9,9-dimethyl-9-azoniabicyclo[3.3.1]non-2-ene iodide?
The canonical SMILES for 9,9-dimethyl-9-azoniabicyclo[3.3.1]non-2-ene iodide is C[N+]1(C)C2C=CCC1CCC2.[I-].
What is the InChIKey of 9,9-dimethyl-9-azoniabicyclo[3.3.1]non-2-ene iodide?
The InChIKey is QZVAMKOROGXMTQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H18N.HI/c1-11(2)9-5-3-6-10(11)8-4-7-9;/h3,5,9-10H,4,6-8H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 9,9-dimethyl-9-azoniabicyclo[3.3.1]non-2-ene iodide?
9,9-dimethyl-9-azoniabicyclo[3.3.1]non-2-ene iodide has a molecular weight of 279.16 g/mol, XLogP of -1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-9-azoniabicyclo[3.3.1]non-2-ene iodide is sourced from PubChem (CID 90481943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).