Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H8N2O2
Datos Químicos de C5H8N2O2
ID
23397
Molecular Scaffold
daeH@JxLdRTITSUUMIbJ@@
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
O/N=C1/[C@H]2N[C@@H]1COC2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H8N2O2/c8-7-5-3-1-9-2-4(5)6-3/h3-4,6,8H,1-2H2/t3-,4+
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WLJQJYBTFFRHRK-ZXZARUISSA-N