chempirical

1,1-Dimethylethyl 3-methylene-1-pyrrolidinecarboxylate

C10H17NO2CAS 114214-71-0183.25 g/mol

Open in Covalent MOL file
NOO
AlkeneCarbamate

Properties

Molecular formula
C10H17NO2
Molar mass
183.25 g/mol
Exact mass
183.1259 Da
logP
2.18Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
114214-71-0
SMILES
C=C1CCN(C(=O)OC(C)(C)C)C1
InChIKey
PXTONRTYYUAUJU-UHFFFAOYSA-N
InChI
InChI=1S/C10H17NO2/c1-8-5-6-11(7-8)9(12)13-10(2,3)4/h1,5-7H2,2-4H3

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Names and synonyms

4 names
  • 1-Pyrrolidinecarboxylic acid, 3-methylene-, 1,1-dimethylethyl ester
  • tert-Butyl 3-methylenepyrrolidine-1-carboxylate
  • 3-Methylenepyrrolidine-1-carboxylic acid tert-butyl ester
  • N-tert-Butoxycarbonyl-3-methylenepyrrolidine

Work with 1,1-Dimethylethyl 3-methylene-1-pyrrolidinecarboxylate

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

3-Oxopyrrolidine-1-carboxylic acid tert-butyl ester101385-93-766 % similar tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-365 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-961 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-859 % similar N-Boc-diethanolamine103898-11-956 % similar N-Boc-N,N-bis(2-chloroethyl)amine118753-70-156 % similar N-Boc-piperazine57260-71-656 % similar tert-Butyl 3-oxoazetidine-1-carboxylate398489-26-454 % similar

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

Same formula

4-Aminobicyclo[2.2.2]octane-1-carboxylic acid methyl ester135908-33-7 4-Diethylamino-2-butynyl acetate22396-77-6

Elsewhere

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