Basic information
- Standard SMILES
C[C@H](CC#N)[C@H]1CCC2C(=CBr)CCC[C@@]21C- InChIKey
LHDYCFLDGGHXGV-KREAIGTHSA-N- Molecular formula
- C15H22BrN
- Average molar mass
- 296.25 g/mol
Names & identifiers
- Preferred name
- (3R)-3-[(1R,7aR)-octahydro-4-bromomethylene-7a-methyl-1H-inden-1-yl]butyronitrile
- IUPAC
- (3R)-3-[(1R,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]butanenitrile
Names & synonyms
SCHEMBL7776428LHDYCFLDGGHXGV-KREAIGTHSA-N(3R)-3-[(1R,7aR)-octahydro-4-bromomethylene-7a-methyl-1H-inden-1-yl]butyronitrile
Database identifiers
- PubChem CID
- 70187237
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 364
Related reactions
3 records
Compound notes
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