1-N-Ethoxycarbonyl-3-pyrrolidone

C7H11NO3CAS 14891-10-2157.17 g/mol

Open in Covalent MOL file
OONO
CarbamateKetone

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
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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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 3-Oxopyrrolidine-1-carboxylic acid tert-butyl ester101385-93-757 % 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-hydroxypiperidine-1-carboxylate65214-82-649 % similar 4-(2-Hydroxyethyl)-piperazin-1-carboxylic acid ethyl ester14000-66-947 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ac-dl-pro-oh1074-79-9 Ethyl (3R)-4-cyano-3-hydroxybutanoate141942-85-0 Butyl 2-isocyanatoacetate17046-22-9 Ethyl (3S)-4-cyano-3-hydroxybutanoate312745-91-8 2-Ethoxyethyl 2-cyanoacetate32804-77-6 Ethyl 2-oxopyrrolidine-3-carboxylate36821-26-8 Methyl 2-oxo-1-pyrrolidineacetate59776-88-4 N-Acetyl-D-proline59785-68-1

Elsewhere

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