chempirical

1-Pyrrolidineacetonitrile

C6H10N2CAS 29134-29-0110.16 g/mol

Open in Covalent MOL file
NN
NitrileTertiary amine

Properties

Molecular formula
C6H10N2
Molar mass
110.16 g/mol
Exact mass
110.0844 Da
Boiling point
86 °C (at 22 Torr)
logP
0.61Crippen estimate
Polar surface area
27.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
29134-29-0
SMILES
N#CCN1CCCC1
InChIKey
NPRYXVXVLCYBNS-UHFFFAOYSA-N
InChI
InChI=1S/C6H10N2/c7-3-6-8-4-1-2-5-8/h1-2,4-6H2

Weigh it out

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

Names and synonyms

8 names
  • N-Pyrrolidinoacetonitrile
  • Pyrrolidinoacetonitrile
  • 1-Cyanomethylpyrrolidine
  • Pyrrolidin-1-ylacetonitrile
  • NSC 26714
  • N-Cyanomethylpyrrolidine
  • 2-Pyrrolidin-1-ylacetonitrile
  • 2-(Pyrrolidin-1-yl)acetonitrile

Work with 1-Pyrrolidineacetonitrile

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

1-Piperidineacetonitrile3010-03-594 % similar 1-Pyrrolidinepropanenitrile26165-45-757 % similar 1-Pyrrolidinebutanenitrile35543-25-057 % similar 1-Piperidinepropanenitrile3088-41-355 % similar 2-(Diethylamino)acetonitrile3010-02-450 % similar (Dimethylamino)acetonitrile926-64-741 % similar 1-Pyrrolidinecarbonitrile1530-88-736 % similar 2,2′-(Nitrosoimino)bis[acetonitrile]16339-18-736 % similar

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

Same formula

1,3,5-Trimethylpyrazole1072-91-9 1-Isopropyl-1H-pyrazole18952-87-9 1-Propylimidazole35203-44-2 2-Isopropylimidazole36947-68-9 1-(1-Methylethyl)-1H-imidazole4532-96-1 2-Propylimidazole50995-95-4 2-Ethyl-4-methylimidazole931-36-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook