1-Tert-butyl-4,5-dioxopyrrolidine-3-carbonitrile
Basic information
- CAS
7510-24-9- Standard SMILES
CC(C)(C)N1CC(C#N)C(=O)C1=O- InChIKey
FBPKUDAVWWVKQI-UHFFFAOYSA-N- Molecular formula
- C9H12N2O2
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.08987763
Names & identifiers
- Preferred name
- 1-Tert-butyl-4,5-dioxopyrrolidine-3-carbonitrile
- IUPAC
- 1-tert-butyl-4,5-dioxopyrrolidine-3-carbonitrile
Names & synonyms
7510-24-91-tert-butyl-4,5-dioxopyrrolidine-3-carbonitrileNSC405635DTXSID50324066NSC-405635
Database identifiers
- CAS
7510-24-9- PubChem CID
- 347138
- DTXSID
DTXSID50324066
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 61.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 305
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Compound notes
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