Название: methyl (1R,4S)-4-(2,5-dimethyl-1H-pyrrol-1-yl)cyclopent-2-ene-1-carboxylate
SMILES:
COC(=O)[C@H]1C=C[C@@H](n2c(C)ccc2C)C1Molecular Processing
Molecular formula
C13H17NO2
Molecular weight
219.28
Exact mass
219.1259
XLogP
2.4
TPSA
31.23
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
62.21
Supplementary Information
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