Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H11NO
Datos Químicos de C6H11NO
ID
13596
Molecular Scaffold
eO`BNZ`@
Molecular Formula
C6H11NO
Elemental Composition %
C: 31.5789473684211%
H: 57.8947368421053%
O: 5.26315789473684%
N: 5.26315789473684%
Weight
113.159
Programa de Cálculo
G16
SMILES
CCC([C@@H]1N(C)C1)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H11NO/c1-3-6(8)5-4-7(5)2/h5H,3-4H2,1-2H3/t5-,7?/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KEMOIMMFSLHFPG-FOUAAFFMSA-N