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2D Structure
Also known as: 17342-08-4, L-pyroglutaminol, (s)-(+)-5-(hydroxymethyl)-2-pyrrolidinone, (s)-5-(hydroxymethyl)-2-pyrrolidinone, (5s)-5-(hydroxymethyl)pyrrolidin-2-one, (s)-5-(hydroxymethyl)pyrrolidin-2-one
Molecular Formula
C5H9NO2
Molecular Weight
115.13  g/mol
InChI Key
HOBJEFOCIRXQKH-BYPYZUCNSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(5S)-5-(hydroxymethyl)pyrrolidin-2-one
2.1.2 InChI
InChI=1S/C5H9NO2/c7-3-4-1-2-5(8)6-4/h4,7H,1-3H2,(H,6,8)/t4-/m0/s1
2.1.3 InChI Key
HOBJEFOCIRXQKH-BYPYZUCNSA-N
2.1.4 Canonical SMILES
C1CC(=O)NC1CO
2.1.5 Isomeric SMILES
C1CC(=O)N[C@@H]1CO
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 17342-08-4

2. L-pyroglutaminol

3. (s)-(+)-5-(hydroxymethyl)-2-pyrrolidinone

4. (s)-5-(hydroxymethyl)-2-pyrrolidinone

5. (5s)-5-(hydroxymethyl)pyrrolidin-2-one

6. (s)-5-(hydroxymethyl)pyrrolidin-2-one

7. 2-pyrrolidinone, 5-(hydroxymethyl)-, (5s)-

8. Mfcd00077792

9. (s)-pyroglutaminol

10. 5-oxoprolinol

11. Schembl210597

12. Chembl4559630

13. Dtxsid80349207

14. Hobjefocirxqkh-bypyzucnsa-n

15. Cs-b0366

16. (s)-5-hydroxymethylpyrrolidin-2-one

17. (s)-5-hydroxymethyl-pyrrolidin-2-one

18. Akos016015259

19. (s)-5(hydroxymethyl)-2-pyrrolidinone

20. (5s)-5-(hydroxymethyl)-2-pyrrolidinone

21. As-11453

22. Bp-12455

23. A3834

24. Am20090035

25. H0867

26. (s)-(+)-5-(hydroxymethyl)pyrrolidin-2-one

27. En300-27221

28. (s)-5-(hydroxymethyl)-2-pyrrolidinone, 97%

29. (5s)-5-(hydroxymethyl)tetrahydro-1h-2-pyrrolone

30. Q-102735

31. Q-200037

32. Z235344345

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 115.13 g/mol
Molecular Formula C5H9NO2
XLogP3-1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area49.3
Heavy Atom Count8
Formal Charge0
Complexity103
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1