1-(Dicyanomethylene)acenaphthen-2-one
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Basic information
- CAS
14619-86-4- Standard SMILES
N#CC(C#N)=c1c(=O)c2cccc3cccc1c32- InChIKey
WYZUQHDRPNJOCG-UHFFFAOYSA-N- Molecular formula
- C15H6N2O
- Average molar mass
- 230.22 g/mol
- Monoisotopic mass
- 230.04801282
Names & identifiers
- Preferred name
- 1-(Dicyanomethylene)acenaphthen-2-one
- IUPAC
- 2-(2-oxoacenaphthylen-1-ylidene)propanedinitrile
- English name
- 1-(Dicyanomethylene)-2-oxoacenaphthylene
- Molecular formula
- C15H6N2O
- Molecular weight
- 230.22
Names & synonyms
14619-86-4delta(sup 1),alpha-Acenaphthenemalononitrile, 2-oxo-E1D0M0NA1CPropanedinitrile, (2-oxo-1(2H)-acenaphthylenylidene)-NSC 92322BRN 2973830NSC-923221-(Dicyanomethylene)acenaphthen-2-one2-Oxo-delta(sup1),alpha-acenaphthenemalononitrileUNII-E1D0M0NA1C2-Oxo-delta(sup 1),alpha-acenaphthenemalononitrileDTXSID90163294
Show more names
1-(Dicyanomethylene)-2-oxoacenaphthylene
2-(2-OXO-1(2H)-ACENAPHTHYLENYLIDENE)PROPANEDINITRILE2-(2-OXO-2H-ACENAPHTHYLEN-1-YLIDENE)-MALONONITRILEPROPANEDINITRILE, 2-(2-OXO-1(2H)-ACENAPHTHYLENYLIDENE)-RefChem:74674DTXCID6085785Propanedinitrile, (2-oxo-1(2H)-acenaphthylenylidene)-(9CI)CHEMBL2314369(2-oxoacenaphthylen-1(2h)-ylidene)propanedinitrile
Database identifiers
- CAS
14619-86-4- PubChem CID
- 96894
- DTXSID
DTXSID90163294- ChEMBL
CHEMBL2314369- UNII
- E1D0M0NA1C
- Nikkaji
- J54.034J
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 509
Physicochemical properties
- Melting point
- 240 °C · 240 °C
- Boiling point
- 423.6 · 423.6±45.0 °C(Predicted)
- Density
- 1.438 · 1.438±0.06 g/cm3(Predicted)
- FDA UNII
- 1 D0M0NA1C · E1D0M0NA1C
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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