Name: methyl 5-cyano-2,4-dioxo-3-azaspiro[5,5]undecane-1-carboxylate
SMILES:
COC(=O)C1C(=O)NC(=O)C(C#N)C12CCCCC2Molecular Processing
Molecular formula
C13H16N2O4
Molecular weight
264.28
Exact mass
264.111
XLogP
0.52
TPSA
96.26
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
19
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.692
Molar refractivity
63.28
Supplementary Information
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