Ethyl 2-nitrilo-2-(2-oxoindolin-3-ylidene)acetate
Basic information
- CAS
59225-18-2- Standard SMILES
CCOC(=O)/C(C#N)=C1/C(=O)Nc2ccccc21- InChIKey
USFZCQWVLYCKDS-PKNBQFBNSA-N- Molecular formula
- C13H10N2O3
- Average molar mass
- 242.23 g/mol
- Monoisotopic mass
- 242.06914219
Names & identifiers
- Preferred name
- Ethyl 2-nitrilo-2-(2-oxoindolin-3-ylidene)acetate
- IUPAC
- ethyl (2E)-2-cyano-2-(2-oxo-1H-indol-3-ylidene)acetate
- English name
- ETHYL 2-NITRILO-2-(2-OXOINDOLIN-3-YLIDENE)ACETATE
- Molecular formula
- C13H10N2O3
- Molecular weight
- 242.23
Names & synonyms
Ethyl 2-nitrilo-2-(2-oxoindolin-3-ylidene)acetate14003-19-1MFCD00170750CHEMBL340803ethyl (2E)-2-cyano-2-(2-oxo-1H-indol-3-ylidene)acetateEthyl (E)-2-cyano-2-(2-oxoindolin-3-ylidene)acetate59225-18-2NSC92042ethyl 2-cyano-2-(2-oxoindolin-3-ylidene)acetateBDBM50132001NSC-92042AKOS001013428
Show more names
AKOS BC-1555Ethyl 2-cyano-2-(2-oxo-1,2-dihydro-3H-indol-3-yliden)acetateethyl (2E)-cyano(2-oxo-1,2-dihydro-3H-indol-3-ylidene)ethanoateAcetic acid, 2-cyano-2-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)-, ethyl ester, (2E)-
MS-6591FE168921CS-0445990F769467Z56788783ethyl (2E)-2-cyano-2-(2-oxoindolin-3-ylidene)acetateCyano-(2-oxo-1,2-dihydro-indol-3-ylidene)-acetic acid ethyl esterethyl (2E)-cyano(2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetate
Database identifiers
- CAS
59225-18-2- PubChem CID
- 698287
- ChEMBL
CHEMBL340803- Nikkaji
- J1.181.777G
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 458
Physicochemical properties
- Melting point
- 174 · 174-176 °C
- Boiling point
- 455.551 · 455.551±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.325 · 1.325±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.938 · 9.938±0.20(predicted)
- HS Code
- 2915390090 · 2915390090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2915390090
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Related reactions
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Compound notes
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