diethyl 2-(2-oxo-1H-indol-3-ylidene)propanedioate
Basic information
- CAS
14003-26-0- Standard SMILES
CCOC(=O)C(C(=O)OCC)=C1C(=O)Nc2ccccc21- InChIKey
LBKJPPYCDSYSAC-UHFFFAOYSA-N- Molecular formula
- C15H15NO5
- Average molar mass
- 289.28 g/mol
- Monoisotopic mass
- 289.09502258
Names & identifiers
- Preferred name
- diethyl 2-(2-oxo-1H-indol-3-ylidene)propanedioate
- IUPAC
- diethyl 2-(2-oxo-1H-indol-3-ylidene)propanedioate
Names & synonyms
diethyl 2-(2-oxo-1H-indol-3-ylidene)propanedioate14003-26-0DTXSID70319914RefChem:337795DTXCID60271037NSC351698CHEMBL4293426AKOS004119146NSC-351698Diethyl (2-oxo-1,2-dihydro-3H-indol-3-ylidene)propanedioate
Database identifiers
- CAS
14003-26-0- PubChem CID
- 336699
- DTXSID
DTXSID70319914- ChEMBL
CHEMBL4293426- Nikkaji
- J1.979.098C
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 462
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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