tert-butyl 1,4,5,6-tetrahydroazepino[4,5-b]indole-3(2H)-carboxylate

HCID 22396759

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

Related reactions

34 records

Compound notes

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