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(5S)-5-benzyl-6,6-dimethylmorpholin-3-one

(5S)-5-benzyl-6,6-dimethylmorpholin-3-one

CAS: 1327274-34-9

Formula: C13H17NO2

SMILES: CC1(C)OCC(=O)N[C@H]1CC1=CC=CC=C1

IUPAC: (5S)-5-benzyl-6,6-dimethylmorpholin-3-one

InChI: InChI=1S/C13H17NO2/c1-13(2)11(14-12(15)9-16-13)8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,14,15)/t11-/m0/s1

Composition: C (71.21%), H (7.81%), N (6.39%), O (14.59%)

Molar Mass: 219.284

Atom Count: 33

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 219.125928791
Formal Charge 0
FSP3 0.46
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey BNODCCKBTVVFHM-NSHDSACASA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.94
Topological Polar Surface Area 38.33
Polarizability 24.39
Ring Count 2
Rotatable Bond Count 2

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