Pyrrolo(2,3-b)indole, 6-bromo-3a-(1,1-dimethyl-2-propenyl)-1,2,3,3a,8,8a-hexahydro-1-methyl-8-(3-methyl-2-butenyl)-, cis-
Basic information
- CAS
71239-64-0- Standard SMILES
C=CC(C)(C)[C@]12CCN(C)[C@H]1N(CC=C(C)C)c1cc(Br)ccc12- InChIKey
AJYIZQUARKFPEC-FPOVZHCZSA-N- Molecular formula
- C21H29BrN2
- Average molar mass
- 389.4 g/mol
- Monoisotopic mass
- 388.15141
Names & identifiers
- Preferred name
- Pyrrolo(2,3-b)indole, 6-bromo-3a-(1,1-dimethyl-2-propenyl)-1,2,3,3a,8,8a-hexahydro-1-methyl-8-(3-methyl-2-butenyl)-, cis-
- IUPAC
- (3aS,8bS)-6-bromo-3-methyl-8b-(2-methylbut-3-en-2-yl)-4-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
Names & synonyms
Pyrrolo(2,3-b)indole, 6-bromo-3a-(1,1-dimethyl-2-propenyl)-1,2,3,3a,8,8a-hexahydro-1-methyl-8-(3-methyl-2-butenyl)-, cis-
Database identifiers
- CAS
71239-64-0- PubChem CID
- 130548
- Nikkaji
- J1.560.837D
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 522
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Compound notes
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