8,8-dimethyl-8-azoniabicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraene

C11H14N+ — CID 91520198

IUPAC8,8-dimethyl-8-azoniabicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraene
SMILESC[N+]1(C)CC2=C=C(C=CC=C2)C1
InChIInChI=1S/C11H14N/c1-12(2)8-10-5-3-4-6-11(7-10)9-12/h3-6H,8-9H2,1-2H3/q+1
InChIKeyXLXXDRZJAHBNHY-UHFFFAOYSA-N
MW160.24 g/mol
LogP1.65
Rot. Bonds

About 8,8-dimethyl-8-azoniabicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraene

8,8-dimethyl-8-azoniabicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraene (PubChem CID 91520198) has the molecular formula C11H14N+ and a molecular weight of 160.24 g/mol. Its IUPAC name is 8,8-dimethyl-8-azoniabicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraene.

Molecular Properties

Compound Name8,8-dimethyl-8-azoniabicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraene
PubChem CID91520198
Molecular FormulaC11H14N+
Molecular Weight160.24 g/mol
Exact Mass160.11
IUPAC Name8,8-dimethyl-8-azoniabicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraene
SMILESC[N+]1(C)CC2=C=C(C=CC=C2)C1
InChIInChI=1S/C11H14N/c1-12(2)8-10-5-3-4-6-11(7-10)9-12/h3-6H,8-9H2,1-2H3/q+1
InChIKeyXLXXDRZJAHBNHY-UHFFFAOYSA-N
XLogP1.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.65
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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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-8-azoniabicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraene?
The IUPAC name of 8,8-dimethyl-8-azoniabicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraene (CID 91520198) is 8,8-dimethyl-8-azoniabicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraene.
What is the SMILES notation for 8,8-dimethyl-8-azoniabicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraene?
The canonical SMILES for 8,8-dimethyl-8-azoniabicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraene is C[N+]1(C)CC2=C=C(C=CC=C2)C1.
What is the InChIKey of 8,8-dimethyl-8-azoniabicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraene?
The InChIKey is XLXXDRZJAHBNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N/c1-12(2)8-10-5-3-4-6-11(7-10)9-12/h3-6H,8-9H2,1-2H3/q+1.
What are the key properties of 8,8-dimethyl-8-azoniabicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraene?
8,8-dimethyl-8-azoniabicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraene has a molecular weight of 160.24 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-8-azoniabicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraene is sourced from PubChem (CID 91520198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).