Basic information
- Standard SMILES
N#CC(O)C1Cc2ccccc2N1C(=O)OCc1ccccc1- InChIKey
XOVDZWFGAVUCFH-UHFFFAOYSA-N- Molecular formula
- C18H16N2O3
- Average molar mass
- 308.3 g/mol
Names & identifiers
- Preferred name
- (+/-) 1-Benzyloxycarbonyl-2-(1-cyano-1-hydroxymethyl)indoline
- IUPAC
- benzyl 2-[cyano(hydroxy)methyl]-2,3-dihydroindole-1-carboxylate
Names & synonyms
SCHEMBL9092066XOVDZWFGAVUCFH-UHFFFAOYSA-N(+/-) 1-Benzyloxycarbonyl-2-(1-cyano-1-hydroxymethyl)indoline
Database identifiers
- PubChem CID
- 19795223
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 466
Related reactions
3 records
Compound notes
Loading…