2-([7-(Diethylamino)-2-oxochromen-3-yl]methylidene)propanedinitrile
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Basic information
- CAS
57818-82-3- Standard SMILES
CCN(CC)c1ccc2cc(C=C(C#N)C#N)c(=O)oc2c1- InChIKey
ZDAYDADAZFYDEB-UHFFFAOYSA-N- Molecular formula
- C17H15N3O2
- Average molar mass
- 293.32 g/mol
Names & identifiers
- Preferred name
- 2-([7-(Diethylamino)-2-oxochromen-3-yl]methylidene)propanedinitrile
- IUPAC
- 2-[[7-(diethylamino)-2-oxochromen-3-yl]methylidene]propanedinitrile
- English name
- 2-((7-(diethylamino)-2-oxo-2H-chromen-3-yl)methylene)malononitrile
- Molecular formula
- C17H15N3O2
- Molecular weight
- 293.32
Names & synonyms
2-((7-(DIETHYLAMINO)-2-OXO-2H-CHROMEN-3-YL)METHYLENE)MALONONITRILE57818-82-32-([7-(Diethylamino)-2-oxochromen-3-yl]methylidene)propanedinitrileSCHEMBL14582079ZDAYDADAZFYDEB-UHFFFAOYSA-NDB-201956Reaxys ID: 21171417Propanedinitrile, 2-[[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]methylene]-
Database identifiers
- CAS
57818-82-3- Nikkaji
- J664.880K
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 580
Physicochemical properties
- Boiling point
- 491.2 · 491.2±45.0 °C(Predicted)
- Density
- 1.303 · 1.303±0.06 g/cm3(Predicted)
- pka
- 2.39 · 2.39±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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