chempirical

1-Pyrrolidinebutanenitrile

C8H14N2CAS 35543-25-0138.21 g/mol

Open in Covalent MOL file
NN
NitrileTertiary amine

Properties

Molecular formula
C8H14N2
Molar mass
138.21 g/mol
Exact mass
138.1157 Da
Boiling point
115 °C (at 18 Torr)
logP
1.39Crippen estimate
Polar surface area
27.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
35543-25-0
SMILES
N#CCCCN1CCCC1
InChIKey
OSDDDHPYSNZBPF-UHFFFAOYSA-N
InChI
InChI=1S/C8H14N2/c9-5-1-2-6-10-7-3-4-8-10/h1-4,6-8H2

Weigh it out

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

Names and synonyms

4 names
  • 1-Pyrrolidinebutyronitrile
  • 4-Pyrrolidinobutyronitrile
  • 4-(1-Pyrrolidinyl)butyronitrile
  • 4-(Pyrrolidin-1-yl)butanenitrile

Work with 1-Pyrrolidinebutanenitrile

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-Pyrrolidinepropanenitrile26165-45-779 % similar 1-Pyrrolidineacetonitrile29134-29-057 % similar Adiponitrile111-69-356 % similar Glutaronitrile544-13-856 % similar 1-Piperidineacetonitrile3010-03-555 % similar Nonanedinitrile1675-69-053 % similar Sebaconitrile1871-96-153 % similar Dodecanedinitrile4543-66-253 % similar

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

Same formula

1-Butyl-2-methyl-1H-imidazole13435-22-8 1-Piperidinepropanenitrile3088-41-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook