N-(Methoxycarbonyl)maleimide

C6H5NO4CAS 55750-48-6155.11 g/mol

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OONOO
AlkeneAmideCarbamateLactam

Properties

Molecular formula
C6H5NO4
Molar mass
155.11 g/mol
Exact mass
155.0219 Da
Melting point
60–61 °C
logP
-0.32Crippen estimate
Polar surface area
63.7 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
55750-48-6
SMILES
COC(=O)N1C(=O)C=CC1=O
InChIKey
LLAZQXZGAVBLRX-UHFFFAOYSA-N
InChI
InChI=1S/C6H5NO4/c1-11-6(10)7-4(8)2-3-5(7)9/h2-3H,1H3

Weigh it out

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

Names and synonyms

3 names
  • 1H-Pyrrole-1-carboxylic acid, 2,5-dihydro-2,5-dioxo-, methyl ester
  • N-(Carbomethoxy)maleimide
  • 2,5-Dihydro-2,5-dioxopyrrole-1-carboxylic acid methyl ester

Work with N-(Methoxycarbonyl)maleimide

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

Dimethyl maleate624-48-638 % similar Dimethyl fumarate624-49-738 % similar N-Methylmaleimide930-88-138 % similar Methyl piperazine-1-carboxylate50606-31-038 % similar 2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-carboxamide3345-50-437 % similar 2,3-Dimethoxy-2,5-cyclohexadiene-1,4-dione3117-02-036 % similar N-Ethylmaleimide128-53-034 % similar N-tert-Butylmaleimide4144-22-334 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-acetic acid25021-08-3 4-Nitrocatechol3316-09-4 2-Nitroresorcinol601-89-8 Citrazinic acid99-11-6

Elsewhere

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