CAS 17342-08-4

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46 Related Intermediates

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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

CAS 17342-08-4

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 Formula	C₅H₉NO₂
Molecular Weight	115.13 g/mol
XLogP3	-1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	49.3
Heavy Atom Count	8
Formal Charge	0
Complexity	103
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1