3-Methyl-2-oxo-1-pyrrolidineacetonitrile
Basic information
- CAS
426818-04-4- Standard SMILES
CC1CCN(CC#N)C1=O- InChIKey
UWPVYYMTFBCZFZ-UHFFFAOYSA-N- Molecular formula
- C7H10N2O
- Average molar mass
- 138.17 g/mol
- Monoisotopic mass
- 138.07931295
Names & identifiers
- Preferred name
- 3-Methyl-2-oxo-1-pyrrolidineacetonitrile
- IUPAC
- 2-(3-methyl-2-oxopyrrolidin-1-yl)acetonitrile
- English name
- 1-Pyrrolidineacetonitrile,3-methyl-2-oxo-(9CI)
- Molecular formula
- C7H10N2O
- Molecular weight
- 138.17
Names & synonyms
3-methyl-2-oxo-1-pyrrolidineacetonitrileDB-2181341-PYRROLIDINEACETONITRILE,3-METHYL-2-OXO1-Pyrrolidineacetonitrile,3-methyl-2-oxo-(9CI)
Database identifiers
- CAS
426818-04-4- PubChem CID
- 20794222
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Boiling point
- 308.8 · 308.8±25.0 °C(Predicted)
- Density
- 1.086 · 1.086±0.06 g/cm3(Predicted)
- pka
- -1 · -1.00±0.40(Predicted)
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Compound notes
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