Basic information
- Standard SMILES
CN1C[C@H]2CCN(c3ccc(Br)cc3)[C@H]2C1- InChIKey
JQFMTRCQEFPEMJ-MFKMUULPSA-N- Molecular formula
- C13H17BrN2
- Average molar mass
- 281.19 g/mol
Names & identifiers
- Preferred name
- (3aR,6aR)-1-(4-Bromophenyl)-5-methyloctahydropyrrolo[3,4-b]pyrrole
- IUPAC
- (3aR,6aR)-1-(4-bromophenyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
Names & synonyms
CHEMBL560358SCHEMBL2410032JQFMTRCQEFPEMJ-MFKMUULPSA-NBDBM50294079(3aR, 6aR)-1-(4-Bromo-phenyl)-5-methyl-octahydro-pyrrolo[3,4-b]pyrrole(3aR,6aR)-1-(4-Bromo-phenyl)-5-methyl-octahydro-pyrrolo[3,4-b]pyrrole(3aR,6aR)-1-(4-Bromophenyl)-5-methyloctahydropyrrolo[3,4-b]pyrrole3aR,6aR)-1-(4-Bromo-phenyl)-5-methyl-octahydro-pyrrolo[3,4-b]pyrrole
Database identifiers
- PubChem CID
- 44221503
- ChEMBL
CHEMBL560358
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 250
Related reactions
26 records
Compound notes
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