Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H8N2O
Datos Químicos de C5H8N2O
ID
5595
Molecular Scaffold
gKX@@eKcRp@
Molecular Formula
C5H8N2O
Elemental Composition %
C: 31.25%
H: 50%
O: 6.25%
N: 12.5%
Weight
112.132
Programa de Cálculo
G16
SMILES
Nc1c(CO)cc[nH]1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H8N2O/c6-5-4(3-8)1-2-7-5/h1-2,7-8H,3,6H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
IJEAWVSRFWCAFZ-UHFFFAOYSA-N