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1-(1-Azabicyclo[2.2.2]octan-3-yl)ethanone (HCID 10773166)|Huagongshe
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Compound
1-(1-Azabicyclo[2.2.2]octan-3-yl)ethanone
HCID
10773166
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Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CC(=O)C1CN2CCC1CC2
InChIKey
FBLJWZQQAXKBBJ-UHFFFAOYSA-N
Molecular formula
C9H15NO
Average molar mass
153.22 g/mol
Names & identifiers
Preferred name
1-(1-Azabicyclo[2.2.2]octan-3-yl)ethanone
IUPAC
1-(1-azabicyclo[2.2.2]octan-3-yl)ethanone
Names & synonyms
SCHEMBL8236713
AKOS006324335
Database identifiers
PubChem CID
10773166
Properties
Computed structural properties
XLogP
0.5
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
Formal charge
0
Complexity
170
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Related reactions
3 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
89203
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
1124463
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID
1216089
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Compound notes
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