Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H8N2O2
Datos Químicos de C5H8N2O2
ID
77181
Molecular Scaffold
daeH@BxDiyxRfjjZREb@
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
N=C1N[C@@H]([C@@H]2OC2)[C@@H]1O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H8N2O2/c6-5-4(8)3(7-5)2-1-9-2/h2-4,8H,1H2,(H2,6,7)/t2-,3-,4+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KMCIRPDTRPHRSH-YVZJFKFKSA-N