Basic information
- CAS
13668-52-5- Standard SMILES
CC(=O)C=C1C(=O)Nc2ccccc21- InChIKey
AQPYUQKKKCLZAT-UHFFFAOYSA-N- Molecular formula
- C11H9NO2
- Average molar mass
- 187.19 g/mol
- Monoisotopic mass
- 187.06332853
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3-Acetonylidene-2-oxindole
- IUPAC
- 3-(2-oxopropylidene)-1H-indol-2-one
Names & synonyms
3-Acetonylidene-2-oxindole3-AXI6524-20-52H-Indol-2-one, 1,3-dihydro-3-(2-oxopropylidene)-RefChem:2739013-acetonylideneoxindoleNSC 202014SCHEMBL30005115DTXSID902759473-(2-oxopropylidene)-1,3-dihydro-2H-indol-2-one
Database identifiers
- CAS
13668-52-5、6524-20-5- PubChem CID
- 99739
- DTXSID
DTXSID90275947
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…