Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H8N2O
Datos Químicos de C5H8N2O
ID
4173
Molecular Scaffold
dnE@@@IIflJfZjh@@
Molecular Formula
C5H8N2O
Elemental Composition %
C: 31.25%
H: 50%
O: 6.25%
N: 12.5%
Weight
112.132
Programa de Cálculo
G16
SMILES
O/N=C1/C2(CC2)NC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H8N2O/c8-7-4-3-6-5(4)1-2-5/h6,8H,1-3H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
JVFVWKRBYRSJJX-UHFFFAOYSA-N