Name: 3-cyano-4-hydroxy-1,2,5,6-tetrahydropyridine-1-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CCC(O)=C(C#N)C1Molecular Processing
Molecular formula
C11H16N2O3
Molecular weight
224.26
Exact mass
224.1161
XLogP
1.96
TPSA
73.56
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
16
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
57.69
Supplementary Information
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