Basic information
- Standard SMILES
CCCCn1ccc2ccc(C(=O)OC)cc21- InChIKey
RVUAYCZDQSGXOA-UHFFFAOYSA-N- Molecular formula
- C14H17NO2
- Average molar mass
- 231.29 g/mol
- Monoisotopic mass
- 231.12592879
Names & identifiers
- Preferred name
- methyl 1-butyl-1H-indole-6-carboxylate
- IUPAC
- methyl 1-butylindole-6-carboxylate
Names & synonyms
SCHEMBL3352536RVUAYCZDQSGXOA-UHFFFAOYSA-Nmethyl 1-butyl-1H-indole-6-carboxylate
Database identifiers
- PubChem CID
- 21086134
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 267
Related reactions
8 records
Compound notes
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