(2E)-[1-(2-Propyn-1-yl)-2-pyrrolidinylidene]acetonitrile
Basic information
- CAS
283166-93-8- Standard SMILES
C#CCN1CCC/C1=C\C#N- InChIKey
KLLIOSKRCZSPCQ-WEVVVXLNSA-N- Molecular formula
- C9H10N2
- Average molar mass
- 146.19 g/mol
Names & identifiers
- Preferred name
- (2E)-[1-(2-Propyn-1-yl)-2-pyrrolidinylidene]acetonitrile
- IUPAC
- (2E)-2-(1-prop-2-ynylpyrrolidin-2-ylidene)acetonitrile
- English name
- Acetonitrile, [1-(2-propynyl)-2-pyrrolidinylidene]-, (2E)- (9CI)
- Molecular formula
- C9H10N2
- Molecular weight
- 146.19
Names & synonyms
283166-93-8(2E)-[1-(2-Propyn-1-yl)-2-pyrrolidinylidene]acetonitrileDB-246799(2E)-[1-(2-propynyl)-2-pyrrolidinylidene]-acetonitrileAcetonitrile, 2-[1-(2-propyn-1-yl)-2-pyrrolidinylidene]-, (2E)-Acetonitrile, [1-(2-propynyl)-2-pyrrolidinylidene]-, (2E)- (9CI)
Database identifiers
- CAS
283166-93-8- Nikkaji
- J1.318.855F
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Boiling point
- 260 · 260.0±40.0 °C(Predicted)
- Density
- 1.14 · 1.140±0.06 g/cm3(Predicted)
- pka
- 1.42 · 1.42±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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