Basic information
- Standard SMILES
O=C1CN2CCC1CC2C(C[N+](=O)[O-])c1cccnc1- InChIKey
AKSJNDBTTQBKMA-UHFFFAOYSA-N- Molecular formula
- C14H17N3O3
- Average molar mass
- 275.3 g/mol
Names & identifiers
- Preferred name
- 6-(1-(3-Pyridinyl)-2-nitroethyl)-1-azabicyclo[2.2.2]octan-3-one
- IUPAC
- 6-(2-nitro-1-pyridin-3-ylethyl)-1-azabicyclo[2.2.2]octan-3-one
Names & synonyms
SCHEMBL2927508AKSJNDBTTQBKMA-UHFFFAOYSA-N6-(1-(3-Pyridinyl)-2-nitroethyl)-1-azabicyclo[2.2.2]octan-3-one
Database identifiers
- PubChem CID
- 68444035
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 79 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 396
Related reactions
1 records
Compound notes
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