1-N-Ethoxycarbonyl-3-pyrrolidone

C₇H₁₁NO₃CAS 14891-10-2157.17 g/mol

Open in Covalent MOL file

Carbamate Ketone

Properties

Molecular formula: C₇H₁₁NO₃
Molar mass: 157.17 g/mol
Exact mass: 157.0739 Da
logP: 0.42Crippen estimate
Polar surface area: 46.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

14891-10-2

SMILES

CCOC(=O)N1CCC(=O)C1

InChIKey

DQYGBMLEVQLDQC-UHFFFAOYSA-N

InChI

InChI=1S/C7H11NO3/c1-2-11-7(10)8-4-3-6(9)5-8/h2-5H2,1H3

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

Names and synonyms

1 names

Ethyl 3-oxopyrrolidine-1-carboxylate

Work with 1-N-Ethoxycarbonyl-3-pyrrolidone

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

1-(Ethoxycarbonyl)-4-piperidone29976-53-279 % similar Benzyl 3-oxopyrrolidine-1-carboxylate130312-02-655 % similar Ethyl 1-piperazinecarboxylate120-43-453 % similar Ethyl 4-(methylamino)-1-piperidinecarboxylate73733-69-450 % similar Ethyl 4-amino-1-piperidinecarboxylate58859-46-449 % similar Ethyl 4-hydroxy-1-piperidinecarboxylate65214-82-649 % similar Benzyl 3-oxopiperidine-1-carboxylate61995-20-845 % similar 1-(Ethoxycarbonyl)-4-piperidinecarboxylic acid118133-15-645 % similar

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

Same formula

Ac-dl-pro-oh1074-79-9 Ethyl (R)-4-cyano-3-hydroxybutyrate141942-85-0 Butyl 2-isocyanatoacetate17046-22-9 2-Ethoxyethyl 2-cyanoacetate32804-77-6 Methyl 2-oxo-1-pyrrolidineacetate59776-88-4 N-Acetyl-L-proline68-95-1 L-Pyroglutamic acid ethyl ester7149-65-7 1-Formylisonipecotic acid84163-42-8

Elsewhere

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