(R)-1-Boc-3-cyanopyrrolidine

C10H16N2O2CAS 132945-76-7196.25 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
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
132945-76-7
SMILES
CC(C)(C)OC(=O)N1CC[C@H](C1)C#N
InChIKey
VDDMCMFPUSCJNA-QMMMGPOBSA-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/t8-/m0/s1

Weigh it out

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

Work with (R)-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.

(S)-1-Boc-3-cyanopyrrolidine132945-78-9Enantiomer 1-Boc-3-cyanopyrrolidine476493-40-0Stereo not defined

Similar compounds

N-Boc-3-cyanopiperidine91419-53-384 % similar (S)-1-N-Boc-3-cyanopiperidine915226-39-084 % similar tert-Butyl 4-cyanopiperidine-1-carboxylate91419-52-283 % similar 1-Boc-3-cyanoazetidine142253-54-178 % similar tert-Butyl 2-cyano-7-azaspiro[3.5]nonane-7-carboxylate203662-66-263 % similar tert-Butyl 3-cyano-4-oxopiperidine-1-carboxylate914988-10-661 % similar 1-Boc-4-ethynylpiperidine287192-97-661 % similar tert-Butyl 3-ethynylpiperidine-1-carboxylate664362-16-759 % 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 3-Ethyl-2,5-pyrazinediethanol86917-74-0

Elsewhere

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