chempirical

(S)-3-(1-Cyano-1,1-diphenylmethyl)pyrrolidine

C18H18N2CAS 133099-11-3262.36 g/mol

Open in Covalent MOL file
NHN
NitrileSecondary Amine

Properties

Molecular formula
C18H18N2
Molar mass
262.36 g/mol
Exact mass
262.1470 Da
logP
3.11Crippen estimate
Polar surface area
35.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
133099-11-3
SMILES
N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CCNC1
InChIKey
AQQVYYRHEMSRRM-QGZVFWFLSA-N
InChI
InChI=1S/C18H18N2/c19-14-18(17-11-12-20-13-17,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,20H,11-13H2/t17-/m1/s1

Weigh it out

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

Names and synonyms

7 names
  • 3-Pyrrolidineacetonitrile, α,α-diphenyl-, (3S)-
  • 3-Pyrrolidineacetonitrile, α,α-diphenyl-, (S)-
  • (3S)-α,α-Diphenyl-3-pyrrolidineacetonitrile
  • (S)-3-(Cyanodiphenylmethyl)pyrrolidine
  • 3-(S)-(1-Cyano-1,1-diphenylmethyl)pyrrolidine
  • (S)-2,2-Diphenyl-2-(pyrrolidin-3-yl)acetonitrile
  • 2,2-Diphenyl-2-[(3S)-pyrrolidin-3-yl]acetonitrile

Work with (S)-3-(1-Cyano-1,1-diphenylmethyl)pyrrolidine

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

Elsewhere

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