2,5-Dioxopyrrolidin-1-yl 2-cyanoacetate

C₇H₆N₂O₄CAS 56657-76-2182.13 g/mol

Open in Covalent MOL file

Amide Lactam Nitrile

Properties

Molecular formula: C₇H₆N₂O₄
Molar mass: 182.13 g/mol
Exact mass: 182.0328 Da
logP: -0.49Crippen estimate
Polar surface area: 87.5 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

56657-76-2

SMILES

C1CC(=O)N(C1=O)OC(=O)CC#N

InChIKey

OZLIBRFWDOSHRS-UHFFFAOYSA-N

InChI

InChI=1S/C7H6N2O4/c8-4-3-7(12)13-9-5(10)1-2-6(9)11/h1-3H2

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Names and synonyms

1 names

Cyanoacetic acid-osu

Work with 2,5-Dioxopyrrolidin-1-yl 2-cyanoacetate

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

Disuccinimidyl glutarate79642-50-557 % similar Disuccinimidyl suberate68528-80-353 % similar Iodoacetic acid N-hydroxysuccinimide ester39028-27-852 % similar Bromoacetic acid N-hydroxysuccinimide ester42014-51-752 % similar Bis-pe21- nhs ester1008402-79-650 % similar 3,3′-Dithiobis(succinimidyl propionate)57757-57-050 % similar Bis(nhs)peg5756526-03-150 % similar Methyl cyanoacetate105-34-048 % similar

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

Same formula

2,4-Dinitrotoluene121-14-2 5-Amino-2-nitrobenzoic acid13280-60-9 4-Amino-3-nitrobenzoic acid1588-83-6 O-(4-Nitrobenzoyl)hydroxylamine35657-36-4 2-Amino-6-nitrobenzoic acid50573-74-5 2,3-Dinitrotoluene602-01-7 2-Amino-3-nitrobenzoic acid606-18-8 2,6-Dinitrotoluene606-20-2

Elsewhere

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