chempirical

1-Pyrrolidinepropanenitrile

C7H12N2CAS 26165-45-7124.19 g/mol

Open in Covalent MOL file
NN
NitrileTertiary amine

Properties

Molecular formula
C7H12N2
Molar mass
124.19 g/mol
Exact mass
124.1000 Da
Boiling point
110–112 °C (at 28 Torr)
logP
1.00Crippen estimate
Polar surface area
27.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
26165-45-7
SMILES
N#CCCN1CCCC1
InChIKey
PDVYZQGNSCSKPG-UHFFFAOYSA-N
InChI
InChI=1S/C7H12N2/c8-4-3-7-9-5-1-2-6-9/h1-3,5-7H2

Weigh it out

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

Names and synonyms

6 names
  • 1-Pyrrolidinepropionitrile
  • β-Pyrrolidinopropionitrile
  • N-(β-Cyanoethyl)pyrrolidine
  • N-(2-Cyanoethyl)pyrrolidine
  • 3-(1-Pyrrolidinyl)propionitrile
  • 3-(Pyrrolidin-1-yl)propanenitrile

Work with 1-Pyrrolidinepropanenitrile

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-Piperidinepropanenitrile3088-41-394 % similar 1-Pyrrolidinebutanenitrile35543-25-079 % similar 4-Morpholinepropanenitrile4542-47-661 % similar 1-Pyrrolidineacetonitrile29134-29-057 % similar Dimethylaminopropionitrile1738-25-648 % similar Adiponitrile111-69-347 % similar Glutaronitrile544-13-847 % similar Nonanedinitrile1675-69-045 % similar

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

Same formula

1,5-Diazabicyclo(4.3.0)non-5-ene3001-72-7 1-Piperidineacetonitrile3010-03-5 Butylimidazole4316-42-1 2-Methyl-1-(1-methylethyl)-1H-imidazole84606-45-1

Elsewhere

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