1-(2-Methylpropyl)-4,5-dioxopyrrolidine-3-carbonitrile
Basic information
- CAS
7399-09-9- Standard SMILES
CC(C)CN1CC(C#N)C(=O)C1=O- InChIKey
XQOSWKDTOJLYDK-UHFFFAOYSA-N- Molecular formula
- C9H12N2O2
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.08987763
Names & identifiers
- Preferred name
- 1-(2-Methylpropyl)-4,5-dioxopyrrolidine-3-carbonitrile
- IUPAC
- 1-(2-methylpropyl)-4,5-dioxopyrrolidine-3-carbonitrile
Names & synonyms
7399-09-91-(2-methylpropyl)-4,5-dioxopyrrolidine-3-carbonitrileNSC55166DTXSID50288275NSC-55166
Database identifiers
- CAS
7399-09-9- PubChem CID
- 244306
- DTXSID
DTXSID50288275
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 61.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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