Basic information
- Standard SMILES
CC(=O)OCCC1CN(C(C)=O)c2cc(C)cc(C)c21- InChIKey
WLQWVVFEAFYRHX-UHFFFAOYSA-N- Molecular formula
- C16H21NO3
- Average molar mass
- 275.34 g/mol
Names & identifiers
- Preferred name
- 1-Acetyl-3-(2-acetoxyethyl)-4,6-dimethylindoline
- IUPAC
- 2-(1-acetyl-4,6-dimethyl-2,3-dihydroindol-3-yl)ethyl acetate
Names & synonyms
SCHEMBL5991603WLQWVVFEAFYRHX-UHFFFAOYSA-N1-Acetyl-3-(2-acetoxyethyl)-4,6-dimethylindoline
Database identifiers
- PubChem CID
- 22247347
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 382
Related reactions
5 records
Compound notes
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