Basic information
- Standard SMILES
C#C[C@H]1CC[C@@H](C(N)=O)N1C(=O)CCl- InChIKey
PCXNOANKBYOEIH-BQBZGAKWSA-N- Molecular formula
- C9H11ClN2O2
- Average molar mass
- 214.65 g/mol
Names & identifiers
- Preferred name
- (5R)-1-(chloroacetyl)-5-ethynyl-L-prolinamide
- IUPAC
- (2S,5R)-1-(2-chloroacetyl)-5-ethynylpyrrolidine-2-carboxamide
Names & synonyms
SCHEMBL647869PCXNOANKBYOEIH-BQBZGAKWSA-N(5R)-1-(chloroacetyl)-5-ethynyl-L-prolinamide
Database identifiers
- PubChem CID
- 45081097
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 307
Related reactions
8 records
Compound notes
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