Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H7NO
Datos Químicos de C5H7NO
ID
3204
Molecular Scaffold
gGy@DDf[Dujja`@
Molecular Formula
C5H7NO
Elemental Composition %
C: 35.7142857142857%
H: 50%
O: 7.14285714285714%
N: 7.14285714285714%
Weight
97.1166
Programa de Cálculo
G16
SMILES
C[C@@H]([C@@H]1N2C1)C2=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H7NO/c1-3-4-2-6(4)5(3)7/h3-4H,2H2,1H3/t3-,4-,6?/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
PVWWNSMZCGRWFH-GPZYNHNGSA-N