3-(Pyrrolidin-1-yl)cyclobutanecarbonitrile
Basic information
- CAS
344326-95-0- Standard SMILES
N#CC1CC(N2CCCC2)C1- InChIKey
ACELYGJKDSDQRU-UHFFFAOYSA-N- Molecular formula
- C9H14N2
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.11569846
Names & identifiers
- Preferred name
- 3-(Pyrrolidin-1-yl)cyclobutanecarbonitrile
- IUPAC
- 3-pyrrolidin-1-ylcyclobutane-1-carbonitrile
- English name
- Cyclobutanecarbonitrile, 3-(1-pyrrolidinyl)- (9CI)
- Molecular formula
- C9H14N2
- Molecular weight
- 150.22
Names & synonyms
344326-95-03-(Pyrrolidin-1-yl)cyclobutanecarbonitrilecyclobutanecarbonitrile, 3-(1-pyrrolidinyl)-, trans-Cyclobutanecarbonitrile, 3-(1-pyrrolidinyl)-Cyclobutanecarbonitrile, 3-(1-pyrrolidinyl)- (9CI)
Database identifiers
- CAS
344326-95-0- PubChem CID
- 12659947
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Boiling point
- 260.2 · 260.2±33.0 °C(Predicted)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- pka
- 9.3 · 9.30±0.20(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…