Basic information
- Standard SMILES
CCCCc1cn(C)c2ccc(C(=O)OCC)cc12- InChIKey
NQMUPZLDJXTCLZ-UHFFFAOYSA-N- Molecular formula
- C16H21NO2
- Average molar mass
- 259.34 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-butyl-1-methyl-1H-indole-5-carboxylate
- IUPAC
- ethyl 3-butyl-1-methylindole-5-carboxylate
Names & synonyms
SCHEMBL3349501NQMUPZLDJXTCLZ-UHFFFAOYSA-NEthyl 3-butyl-1-methyl-1H-indole-5-carboxylate
Database identifiers
- PubChem CID
- 21086101
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 305
Related reactions
6 records
Compound notes
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