Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C5H9NO
Datos Químicos de C5H9NO
ID
3344
Molecular Scaffold
dnFH@JAJUbZfjjiLSP@
Molecular Formula
C5H9NO
Elemental Composition %
C: 31.25%
H: 56.25%
O: 6.25%
N: 6.25%
Weight
99.1325
Programa de Cálculo
G16
SMILES
C1[C@H]2N[C@H]2COC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H9NO/c1-2-7-3-5-4(1)6-5/h4-6H,1-3H2/t4-,5+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
DIUNZTQKLKGEBB-UHNVWZDZSA-N