Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCc2[nH]c3ccccc3c2CC1- InChIKey
LFSUWKFTYNVBIG-UHFFFAOYSA-N- Molecular formula
- C17H22N2O2
- Average molar mass
- 286.37 g/mol
Names & identifiers
- Preferred name
- tert-butyl 1,4,5,6-tetrahydroazepino[4,5-b]indole-3(2H)-carboxylate
- IUPAC
- tert-butyl 2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-3-carboxylate
Names & synonyms
SCHEMBL6474214LFSUWKFTYNVBIG-UHFFFAOYSA-N3-tert-butyloxycarbonyl 1,2,3,4,5,6-hexahydroazepino[4,5-b]indole3-tert-butyloxycarbonyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indoletert-butyl 1,4,5,6-tetrahydroazepino[4,5-b]indole -3(2H)-carboxylatetert-butyl 1,4,5,6-tetrahydroazepino[4,5-b]indole-3(2H)-carboxylate
Database identifiers
- PubChem CID
- 22396759
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 391
Related reactions
34 records
Compound notes
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