COC(=O)C1CC(=O)N(C1)C2CCCCCC2
Name: methyl 1-cycloheptyl-5-oxopyrrolidine-3-carboxylate
SMILES: COC(=O)C1CC(=O)N(C1)C2CCCCCC2

Molecular Processing

Molecular formula
C13H21NO3
Molecular weight
239.31
Exact mass
239.1521
XLogP
1.73
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.846
Molar refractivity
63.33

Supplementary Information

InChIKey: LXJWFLWWFHEPFJ-UHFFFAOYSA-N
Synonyme
SCHEMBL328967LXJWFLWWFHEPFJ-UHFFFAOYSA-N1-Cycloheptyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester
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