2-(3-Oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetonitrile
Basic information
- CAS
67557-67-9- Standard SMILES
N#CC=C1Nc2ccccc2NC1=O- InChIKey
KNQRYDWDIMUVMO-UHFFFAOYSA-N- Molecular formula
- C10H7N3O
- Average molar mass
- 185.18 g/mol
- Monoisotopic mass
- 185.05891186
Names & identifiers
- Preferred name
- 2-(3-Oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetonitrile
- IUPAC
- 2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetonitrile
- English name
- Acetonitrile, (3,4-dihydro-3-oxo-2(1H)-quinoxalinylidene)- (9CI)
- Molecular formula
- C10H7N3O
- Molecular weight
- 185.18
Names & synonyms
67557-67-92-(3-Oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetonitrile(3-Oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)acetonitrile2-[(2E)-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-ylidene]acetonitrile2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetonitrileDTXSID70695644Acetonitrile, 2-(3,4-dihydro-3-oxo-2(1H)-quinoxalinylidene)-(2E)-(3-OXO-3,4-DIHYDROQUINOXALIN-2(1H)-YLIDENE)ETHANENITRILEAcetonitrile, (3,4-dihydro-3-oxo-2(1H)-quinoxalinylidene)- (9CI)
Database identifiers
- CAS
67557-67-9- PubChem CID
- 53405697
- DTXSID
DTXSID70695644
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Melting point
- 296 · 296-300 °C (decomp)
- Boiling point
- 417.7 · 417.7±45.0 °C(Predicted)
- Density
- 1.367 · 1.367±0.06 g/cm3(Predicted)
- pka
- 9.15 · 9.15±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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