Ethyl 1-acetyl-1H-indole-2-carboxylate
Basic information
- CAS
100393-65-5- Standard SMILES
CCOC(=O)c1cc2ccccc2n1C(C)=O- InChIKey
KELLLYFEZGIOGA-UHFFFAOYSA-N- Molecular formula
- C13H13NO3
- Average molar mass
- 231.25 g/mol
- Monoisotopic mass
- 231.08954328
Names & identifiers
- Preferred name
- Ethyl 1-acetyl-1H-indole-2-carboxylate
- IUPAC
- ethyl 1-acetylindole-2-carboxylate
Names & synonyms
Ethyl 1-acetyl-1H-indole-2-carboxylate100393-65-5DTXSID60573669RefChem:342006DTXCID305244411H-Indole-2-carboxylic acid, 1-acetyl-, ethyl esterSCHEMBL28665557ETHYL 1-ACETYLINDOLE-2-CARBOXYLATE
Database identifiers
- CAS
100393-65-5- PubChem CID
- 15526005
- DTXSID
DTXSID60573669- Nikkaji
- J2.835.574B
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 48.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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