1-(tert-Butoxycarbonyl)-3-(cyanomethylene)azetidine

C₁₀H₁₄N₂O₂CAS 1153949-11-1194.23 g/mol

Open in Covalent MOL file

Alkene Carbamate Nitrile

Properties

Molecular formula: C₁₀H₁₄N₂O₂
Molar mass: 194.23 g/mol
Exact mass: 194.1055 Da
logP: 1.69Crippen estimate
Polar surface area: 53.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Identifiers

CAS number

1153949-11-1

SMILES

CC(C)(C)OC(=O)N1CC(=CC#N)C1

InChIKey

BESFCRTTXQYNBW-UHFFFAOYSA-N

InChI

InChI=1S/C10H14N2O2/c1-10(2,3)14-9(13)12-6-8(7-12)4-5-11/h4H,6-7H2,1-3H3

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Names and synonyms

1 names

1-Boc-3-(cyanomethylene)azetidine

Work with 1-(tert-Butoxycarbonyl)-3-(cyanomethylene)azetidine

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

tert-Butyl 3-oxoazetidine-1-carboxylate398489-26-456 % similar 3-Ethoxycarbonylmethylene-azetidine-1-carboxylic acid tert-butyl ester1002355-96-552 % similar N-(tert-Butoxycarbonyl)-2,5-dihydro-1H-pyrrole73286-70-151 % similar tert-Butyl 3-cyano-4-oxo-1-pyrrolidine carboxylate175463-32-849 % similar N-Boc-N,N-bis(2-chloroethyl)amine118753-70-149 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-949 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-847 % similar (R)-1-Boc-3-cyanopyrrolidine132945-76-747 % similar

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

Same formula

N-2-Pyridinyl-β-alanine ethyl ester103041-38-9 N,N-Diethyl-4-nitrobenzenamine2216-15-1 4-(1,1-Dimethylethyl)-2-nitrobenzenamine6310-19-6 1,4-Bis(acryloyl)piperazine6342-17-2

Elsewhere

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