Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H7NO
Datos Químicos de C5H7NO
ID
3395
Molecular Scaffold
gGy@DDfWDujjVQ`@
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]12)[C@H]2NC1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H7NO/c1-2-3-4(2)6-5(3)7/h2-4H,1H3,(H,6,7)/t2-,3+,4+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
NKLJWDVRRRYLIY-PZGQECOJSA-N