Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H9NO2
Datos Químicos de C5H9NO2
ID
11438
Molecular Scaffold
gFy@DDfTujh@
Molecular Formula
C5H9NO2
Elemental Composition %
C: 29.4117647058824%
H: 52.9411764705882%
O: 11.7647058823529%
N: 5.88235294117647%
Weight
115.131
Programa de Cálculo
G16
SMILES
OC[C@@H](CC1)NC1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H9NO2/c7-3-4-1-2-5(8)6-4/h4,7H,1-3H2,(H,6,8)/t4-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
HOBJEFOCIRXQKH-BYPYZUCNSA-N