1H-Pyrrole-3,4-dicarbonitrile, 2,5-dihydro-2,5-dioxo-
Basic information
- CAS
1974-53-4- Standard SMILES
N#CC1=C(C#N)C(=O)NC1=O- InChIKey
NWYGDAXTWDWSPQ-UHFFFAOYSA-N- Molecular formula
- C6HN3O2
- Average molar mass
- 147.09 g/mol
- Monoisotopic mass
- 147.00687628
Names & identifiers
- Preferred name
- 1H-Pyrrole-3,4-dicarbonitrile, 2,5-dihydro-2,5-dioxo-
- IUPAC
- 2,5-dioxopyrrole-3,4-dicarbonitrile
Names & synonyms
1H-Pyrrole-3,4-dicarbonitrile, 2,5-dihydro-2,5-dioxo-1974-53-4DTXSID00310232RefChem:240532DTXCID20261358NSC222827SCHEMBL11730375NWYGDAXTWDWSPQ-UHFFFAOYSA-NNSC-2228272,5-Dioxo-2,5-dihydro-1H-pyrrole-3,4-dicarbonitrile2,5-Dioxo-2,5-dihydro-1H-pyrrole-3,4-dicarbonitrile #
Database identifiers
- CAS
1974-53-4- PubChem CID
- 312682
- DTXSID
DTXSID00310232
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 337
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Related reactions
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Compound notes
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