chempirical

(S)-1-(2-Chloroacetyl)pyrrolidine-2-carbonitrile

C7H9ClN2OCAS 207557-35-5172.61 g/mol

Open in Covalent MOL file
NNOCl
AmideHalogenNitrile

Properties

Molecular formula
C7H9ClN2O
Molar mass
172.61 g/mol
Exact mass
172.0403 Da
Melting point
52–53 °C
logP
0.74Crippen estimate
Polar surface area
44.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
207557-35-5
SMILES
N#C[C@@H]1CCCN1C(=O)CCl
InChIKey
YCWRPKBYQZOLCD-LURJTMIESA-N
InChI
InChI=1S/C7H9ClN2O/c8-4-7(11)10-3-1-2-6(10)5-9/h6H,1-4H2/t6-/m0/s1

Weigh it out

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

Names and synonyms

10 names
  • 2-Pyrrolidinecarbonitrile, 1-(2-chloroacetyl)-, (2S)-
  • 2-Pyrrolidinecarbonitrile, 1-(chloroacetyl)-, (2S)-
  • (2S)-1-(2-Chloroacetyl)-2-pyrrolidinecarbonitrile
  • 1-Chloroacetyl-2-(S)-cyanopyrrolidine
  • (2S)-1-Chloroacetylpyrrolidine-2-carbonitrile
  • (2S)-1-(Chloroacetyl)-2-pyrrolidinecarbonitrile
  • (2S)-N-Chloroacetyl-2-cyanopyrrolidine
  • 1-(2-Chloroacetyl)-(2S)-pyrrolidine carbonitrile
  • (S)-1-(Chloroacetyl)pyrrolidine-2-carbonitrile
  • 2-Pyrrolidinecarbonitrile 1-(2-chloroacetyl)-, (2S)-

Work with (S)-1-(2-Chloroacetyl)pyrrolidine-2-carbonitrile

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

Same formula

1-Methylnicotinamide chloride1005-24-9 p-Hydroxybenzamidine monohydrochloride38148-63-9 Pralidoxime chloride51-15-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook