chempirical

1-Boc-3-cyanopyrrolidine

C10H16N2O2CAS 476493-40-0196.25 g/mol

Open in Covalent MOL file
OONN
CarbamateNitrile

Properties

Molecular formula
C10H16N2O2
Molar mass
196.25 g/mol
Exact mass
196.1212 Da
logP
1.77Crippen estimate
Polar surface area
53.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
476493-40-0
SMILES
CC(C)(C)OC(=O)N1CCC(C1)C#N
InChIKey
VDDMCMFPUSCJNA-UHFFFAOYSA-N
InChI
InChI=1S/C10H16N2O2/c1-10(2,3)14-9(13)12-5-4-8(6-11)7-12/h8H,4-5,7H2,1-3H3

Weigh it out

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Names and synonyms

1 names
  • 1-N-Boc-3-cyanopyrrolidine

Work with 1-Boc-3-cyanopyrrolidine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(R)-1-Boc-3-cyanopyrrolidine132945-76-7Defined stereoisomer (S)-1-Boc-3-cyanopyrrolidine132945-78-9Defined stereoisomer

Similar compounds

1-Boc-3-cyanoazetidine142253-54-178 % similar tert-Butyl 2-cyano-7-azaspiro[3.5]nonane-7-carboxylate203662-66-263 % similar 1-Boc-4-ethynylpiperidine287192-97-661 % similar (S)-3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester101469-92-559 % similar 3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester103057-44-959 % similar tert-Butyl (3R)-3-hydroxypyrrolidine-1-carboxylate109431-87-059 % similar (S)-(-)-1-tert-Butoxycarbonyl-3-aminopyrrolidine147081-44-559 % similar (R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate147081-49-059 % similar

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

Same formula

Fasoracetam110958-19-5 1,1-Dimethylethyl 2-cyano-1-pyrrolidinecarboxylate144688-70-0 (S)-1-Boc-2-cyanopyrrolidine228244-04-0 (R)-1-Boc-2-cyanopyrrolidine228244-20-0

Elsewhere

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