CC(C)(C)OC(=O)N1CCC(=C(C#N)CO)CC1
SMILES: CC(C)(C)OC(=O)N1CCC(=C(C#N)CO)CC1

Molecular Processing

Molecular formula
C13H20N2O3
Molecular weight
252.31
Exact mass
252.1474
XLogP
1.83
TPSA
73.56
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
18
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.692
Molar refractivity
66.77

Supplementary Information

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