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(3S)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one

(3S)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one

CAS: 1799615-79-4

Formula: C7H9NO2

SMILES: CN1CC[C@](O)(C#C)C1=O

IUPAC: (3S)-3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one

InChI: InChI=1S/C7H9NO2/c1-3-7(10)4-5-8(2)6(7)9/h1,10H,4-5H2,2H3/t7-/m1/s1

Composition: C (60.42%), H (6.52%), N (10.07%), O (22.99%)

Molar Mass: 139.154

Atom Count: 19

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 139.063328534
Formal Charge 0
FSP3 0.57
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey RKJOSOCBDGSTIJ-SSDOTTSWSA-N
Lipinski's Rule of Five 1
Molar Refractivity 36.15
Topological Polar Surface Area 40.54
Polarizability 13.67
Ring Count 1
Rotatable Bond Count 0

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