Basic information
- Standard SMILES
CCCCN1CCc2ccc(C(=O)OC)cc21- InChIKey
ZGRXXOBUFZZCOR-UHFFFAOYSA-N- Molecular formula
- C14H19NO2
- Average molar mass
- 233.31 g/mol
Names & identifiers
- Preferred name
- Methyl 1-butylindoline-6-carboxylate
- IUPAC
- methyl 1-butyl-2,3-dihydroindole-6-carboxylate
Names & synonyms
SCHEMBL3350901ZGRXXOBUFZZCOR-UHFFFAOYSA-NMethyl 1-butylindoline-6-carboxylate
Database identifiers
- PubChem CID
- 21086137
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 267
Related reactions
5 records
Compound notes
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