Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H10N2O
Datos Químicos de C6H10N2O
ID
42408
Molecular Scaffold
diUH@DpLbbbLJnEjjj@@
Molecular Formula
C6H10N2O
Elemental Composition %
C: 31.5789473684211%
H: 52.6315789473684%
O: 5.26315789473684%
N: 10.5263157894737%
Weight
126.158
Programa de Cálculo
G16
SMILES
O=C(NC1CC1)N1CC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H10N2O/c9-6(8-3-4-8)7-5-1-2-5/h5H,1-4H2,(H,7,9)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
SQBMDDLDYQXHPO-UHFFFAOYSA-N