Molecular Details
DICL_CP_0307607
- 8-methyl-8-azabicyclo[3.2.1]octan-3-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307607
PubChem CID
Molecular Formula
C8H13NO Molecular Weight
139.198 g/mol
Synonyms/Alias
[Tropi; 532-24-1; 8-Methyl-8-azabicyclo[3.2.1]octan-3-one; Tropa; Tropanon; 3-Tropa; 8-Azabicyclo[3.2.1]octan-3-one; 8-methyl-; Tropio; 3-Tropi; Tropinon; 1.alpha.H;5.alpha.H-Tropan-3-one; NSC 118012;...
InChI Key
QQXLDOJGLXJCSE-UHFFFAOYSA-N
InChI
InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3
IUPAC Name
8-methyl-8-azabicyclo[3.2.1]octan-3-one
CAS Number
532-24-1
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
10 11 0 0 0 0 0 0 0 0999 V2000
-0.7825 -0.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0130 -0.0152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8926 -1...
Experimental Data
Activity Data
Target Ion Channel
Neuronal acetylcholine receptor subunit alpha-3/beta-4
Uniprot Accession Number
Function
Agonist
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
EC50: 350000 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.6
Holding Potential
−60 mV mV
Temperature
Not mention
Test Method
Patch-clamping
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
10
Rotatable Bonds
0
logP
0.8121
Complexity
38.814
TPSA (Ų)
20.31
H-Bond Donors
0
H-Bond Acceptors
2
Ring Count
2