CAS 766-36-9

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BUILDING BLOCK

3 Suppliers, 3 End Use APIs, 16 Related Intermediates

3 Suppliers
3 End Use APIs
16 Related Intermediates

Chemistry

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Also known as: 766-36-9, 3-ethyl-4-methyl-3-pyrroline-2-one, 3-ethyl-4-methyl-2,5-dihydro-1h-pyrrol-2-one, 4-ethyl-3-methyl-1,2-dihydropyrrol-5-one, 2h-pyrrol-2-one, 3-ethyl-1,5-dihydro-4-methyl-, 3-ethyl-4-methyl-1h-pyrrol-2(5h)-one

Molecular Formula

C₇H₁₁NO

Molecular Weight

125.17 g/mol

InChI Key

YCTNTSVMJWIYTQ-UHFFFAOYSA-N

1 2D Structure

CAS 766-36-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-ethyl-3-methyl-1,2-dihydropyrrol-5-one

2.1.2 InChI

InChI=1S/C7H11NO/c1-3-6-5(2)4-8-7(6)9/h3-4H2,1-2H3,(H,8,9)

2.1.3 InChI Key

YCTNTSVMJWIYTQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCC1=C(CNC1=O)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 766-36-9

2. 3-ethyl-4-methyl-3-pyrroline-2-one

3. 3-ethyl-4-methyl-2,5-dihydro-1h-pyrrol-2-one

4. 4-ethyl-3-methyl-1,2-dihydropyrrol-5-one

5. 2h-pyrrol-2-one, 3-ethyl-1,5-dihydro-4-methyl-

6. 3-ethyl-4-methyl-1h-pyrrol-2(5h)-one

7. 1,5-dihydro-3-ethyl-4-methyl-2h-pyrrol-2-one

8. Mfcd00173861

9. 3-ethyl-4-methyl-2-oxopyrroline

10. Ec 616-364-4

11. Schembl1430224

12. Yctntsvmjwiytq-uhfffaoysa-

13. 3-ethyl-4-methylpyrroline-2-one

14. Dtxsid70357558

15. Zinc404205

16. Bcp28365

17. Akos006223717

18. Ab04375

19. Am62801

20. Cs-w002472

21. Ac-23984

22. As-12826

23. Sy032675

24. Db-006425

25. 3-ethyl-4-methyl-3-pyrrolin-2-one, 97%

26. A9711

27. E0964

28. Ft-0600899

29. Ft-0667991

30. 766e369

31. 3-ethyl-4-methyl-2,5-dihydro-1h-pyrroline-2-one

32. J-512425

33. 3-ethyl-1,5-dihydro-4-methyl-2h-pyrrol-2-one;

2.3 Create Date

2005-07-09

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₁NO
Molecular Weight	125.17 g/mol
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	125.084063974 g/mol
Monoisotopic Mass	125.084063974 g/mol
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	170
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1