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Basic information
- Standard SMILES
N#C[C@@H]1C[C@H](F)CN1C(=O)CNC12CCC(C(N)=O)(CC1)CC2- InChIKey
HFYVIGOEGMGNMN-RBAVJSINSA-N- Molecular formula
- C16H23FN4O2
- Average molar mass
- 322.38 g/mol
- Monoisotopic mass
- 322.18050415
Names & identifiers
- Preferred name
- (2S,4S)-1-[[(4-carbamoylbicyclo[2.2.2]oct-1-yl)amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile
- IUPAC
- 4-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]bicyclo[2.2.2]octane-1-carboxamide
Names & synonyms
SCHEMBL3928966HFYVIGOEGMGNMN-RBAVJSINSA-N(2S,4S)-1-[[(4-carbamoylbicyclo[2.2.2]oct-1-yl)amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile
Database identifiers
- PubChem CID
- 11336237
Properties
Computed structural propertiesFilling in
- XLogP
- 0
- Topological polar surface area
- 99.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 545
Related reactions
1 records
Compound notes
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