Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H8N2O2
Datos Químicos de C5H8N2O2
ID
112079
Molecular Scaffold
gKT@AdiZj@_p`dp
Molecular Formula
C5H8N2O2
Elemental Composition %
C: 29.4117647058824%
H: 47.0588235294118%
O: 11.7647058823529%
N: 11.7647058823529%
Weight
128.131
Programa de Cálculo
G16
SMILES
OC[C@H]1[N][CH]N[C@H]1C=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H9N2O2/c8-1-4-5(2-9)7-3-6-4/h1,3-7,9H,2H2/t4-,5+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
GFUDEFVVOXXIIS-CRCLSJGQSA-N