(S)-2-(1-Acetylpyrrolidin-2-yl)acetonitrile
Basic information
- CAS
422545-97-9- Standard SMILES
CC(=O)N1CCC[C@H]1CC#N- InChIKey
RQTTZJRWHBWKMS-QMMMGPOBSA-N- Molecular formula
- C8H12N2O
- Average molar mass
- 152.19 g/mol
Names & identifiers
- Preferred name
- (S)-2-(1-Acetylpyrrolidin-2-yl)acetonitrile
- IUPAC
- 2-[(2S)-1-acetylpyrrolidin-2-yl]acetonitrile
- English name
- 2-Pyrrolidineacetonitrile, 1-acetyl-, (2S)- (9CI)
- Molecular formula
- C8H12N2O
- Molecular weight
- 152.19
Names & synonyms
(S)-2-(1-Acetylpyrrolidin-2-yl)acetonitrile422545-97-9SCHEMBL13739284RQTTZJRWHBWKMS-QMMMGPOBSA-N(S)-N-Acetyl-2-cyanomethylpyrrolidine((S)-1-Acetylpyrrolidin-2-yl)acetonitrile2-Pyrrolidineacetonitrile, 1-acetyl-, (2S)-2-Pyrrolidineacetonitrile, 1-acetyl-, (2S)- (9CI)
Database identifiers
- CAS
422545-97-9
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Boiling point
- 342 · 342.0±15.0 °C(Predicted)
- Density
- 1.071 · 1.071±0.06 g/cm3(Predicted)
- pka
- -1.71 · -1.71±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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