chempirical

1-Pyrrolidinecarbonitrile

C5H8N2CAS 1530-88-796.13 g/mol

Open in Covalent MOL file
NN
NitrileTertiary amine

Properties

Molecular formula
C5H8N2
Molar mass
96.13 g/mol
Exact mass
96.0687 Da
Boiling point
107–110 °C (at 17 Torr)
logP
0.56Crippen estimate
Polar surface area
27.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
1530-88-7
SMILES
N#CN1CCCC1
InChIKey
QJRYYOWARFCJQZ-UHFFFAOYSA-N
InChI
InChI=1S/C5H8N2/c6-5-7-3-1-2-4-7/h1-4H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Tetramethylenecyanamide
  • 1-Cyanopyrrolidine
  • N-Cyanopyrrolidine
  • Pyrrolidinocarbonitrile
  • 1-Pyrrolidinylcyanamide
  • NSC 44225
  • 1-Pyrrolidinecyanamide

Work with 1-Pyrrolidinecarbonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diethylcyanamide617-83-445 % similar N,N-Di-2-propen-1-ylcyanamide538-08-939 % similar 1-Pyrrolidineacetonitrile29134-29-036 % similar 1-Pyrrolidinepropanenitrile26165-45-735 % similar 1-Piperidineacetonitrile3010-03-535 % similar 1-Pyrrolidinebutanenitrile35543-25-035 % similar 1-Piperidinepropanenitrile3088-41-333 % similar Dimethylcyanamide1467-79-430 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Ethylimidazole1072-62-4 1,4-Dimethylpyrazole1072-68-0 1,2-Dimethylimidazole1739-84-0 3,4-Dimethylpyrazole2820-37-3 3,5-Dimethylpyrazole67-51-6 1,5-Dimethylpyrazole694-31-5 1-Ethylimidazole7098-07-9 2,4-Dimethylimidazole930-62-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook