Basic information
- Standard SMILES
CCOC(=O)N1CCc2cc(C(C)=O)ccc21- InChIKey
FBUZPGCGUQQFDH-UHFFFAOYSA-N- Molecular formula
- C13H15NO3
- Average molar mass
- 233.26 g/mol
- Monoisotopic mass
- 233.10519334
Names & identifiers
- Preferred name
- 5-acetyl-1-ethoxycarbonyl-2,3-dihydro-1H-indole
- IUPAC
- ethyl 5-acetyl-2,3-dihydroindole-1-carboxylate
Names & synonyms
SCHEMBL7485064FBUZPGCGUQQFDH-UHFFFAOYSA-N5-acetyl-1-ethoxycarbonyl-2,3-dihydro-1H-indole
Database identifiers
- PubChem CID
- 9991583
- Nikkaji
- J514.770K
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 316
Related reactions
1 records
Compound notes
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