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Basic information
- Standard SMILES
CN1C[C@H](Nc2ccc(Br)cc2[N+](=O)[O-])[C@@H](O)C1- InChIKey
VPDLNNXVNJVJJH-ONGXEEELSA-N- Molecular formula
- C11H14BrN3O3
- Average molar mass
- 316.15 g/mol
- Monoisotopic mass
- 315.02185
Names & identifiers
- Preferred name
- (3S,4S)-4-(4-bromo-2-nitrophenylamino)-1-methylpyrrolidin-3-ol
- IUPAC
- (3S,4S)-4-(4-bromo-2-nitroanilino)-1-methylpyrrolidin-3-ol
Names & synonyms
SCHEMBL2250780VPDLNNXVNJVJJH-ONGXEEELSA-N(3S,4S)-4-(4-Bromo-2-nitro-phenylamino)-1-methyl-pyrrolidin-3-ol(3S,4S)-4-(4-bromo-2-nitrophenylamino)-1-methylpyrrolidin-3-ol
Database identifiers
- PubChem CID
- 57748725
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 312
Related reactions
2 records
Compound notes
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