chempirical

Fumaramide

C4H6N2O2CAS 627-64-5114.10 g/mol

Open in Covalent MOL file
NH2ONH2O
Alkene

Properties

Molecular formula
C4H6N2O2
Molar mass
114.10 g/mol
Exact mass
114.0429 Da
Melting point
267 °C
logP
0.61Crippen estimate
Polar surface area
88.2 Ų
H-bond donors / acceptors
4 / 2
Rotatable bonds
2
Double bonds
EE/Z, in SMILES order

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
627-64-5
SMILES
N=C(O)/C=C/C(=N)O
InChIKey
BSSNZUFKXJJCBG-OWOJBTEDSA-N
InChI
InChI=1S/C4H6N2O2/c5-3(7)1-2-4(6)8/h1-2H,(H2,5,7)(H2,6,8)/b2-1+

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Names and synonyms

6 names
  • 2-Butenediamide, (2E)-
  • 2-Butenediamide, (E)-
  • (2E)-2-Butenediamide
  • Fumaric diamide
  • Fumaric acid diamide
  • NSC 16608

Work with Fumaramide

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

Maleamic acid557-24-463 % similar Acrylamide79-06-150 % similar Polyacrylamide9003-05-850 % similar trans-Cinnamamide22031-64-746 % similar Cinnamamide621-79-446 % similar Azodicarbonamide123-77-333 % similar

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

Same formula

2,5-Diketopiperazine106-57-0 Piperazine-2,3-dione13092-86-9 Piperazine-2,6-dione4774-22-5 Dihydrouracil504-07-4 5-Methylhydantoin616-03-5 1-Methylhydantoin616-04-6 Ethyl diazoacetate623-73-4

Elsewhere

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