Ethyl 1-methyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
Basic information
- Standard SMILES
CCOC(=O)C1=CNCC(C)c2c1[nH]c1ccccc21- InChIKey
WWAQHSLLVBIRRW-UHFFFAOYSA-N- Molecular formula
- C16H18N2O2
- Average molar mass
- 270.33 g/mol
Names & identifiers
- Preferred name
- Ethyl 1-methyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
- IUPAC
- ethyl 1-methyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
Names & synonyms
SCHEMBL274363WWAQHSLLVBIRRW-UHFFFAOYSA-Nethyl 1-methyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
Database identifiers
- PubChem CID
- 25223262
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 54.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 407
Related reactions
4 records
Compound notes
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