1-Boc-pyrrolidine-2,4-dione

C9H13NO4CAS 182352-59-6199.21 g/mol

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OONOO
AmideCarbamateKetoneLactam

Properties

Molecular formula
C9H13NO4
Molar mass
199.21 g/mol
Exact mass
199.0845 Da
logP
0.72Crippen estimate
Polar surface area
63.7 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
0

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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
182352-59-6
SMILES
CC(C)(C)OC(=O)N1CC(=O)CC1=O
InChIKey
JWMCWFLHZICZQD-UHFFFAOYSA-N
InChI
InChI=1S/C9H13NO4/c1-9(2,3)14-8(13)10-5-6(11)4-7(10)12/h4-5H2,1-3H3

Weigh it out

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

Names and synonyms

1 names
  • tert-Butyl 2,4-dioxopyrrolidine-1-carboxylate

Work with 1-Boc-pyrrolidine-2,4-dione

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 2,4-dioxopiperidine-1-carboxylate845267-78-971 % similar 3-Oxo-azetidine-1-carboxylic acid tert-butyl ester398489-26-456 % similar 1,1-Dimethylethyl 2-oxo-1-pyrrolidinecarboxylate85909-08-654 % similar tert-Butyl 2-oxopiperidine-1-carboxylate85908-96-953 % similar 3-Oxopyrrolidine-1-carboxylic acid tert-butyl ester101385-93-750 % similar tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-349 % similar 1-Boc-3-piperidone98977-36-748 % similar tert-Butyl 6-oxo-2-azaspiro(3.3)heptane-2-carboxylate1181816-12-546 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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