CAS 75885-58-4

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Also known as: 75885-58-4, (s)-(+)-2,2-dimethylcyclopropanecarboxamide, (s)-(+)-2,2-dimethylcyclopropane carboxamide, (1s)-2,2-dimethylcyclopropane-1-carboxamide, (s)-(+)-2,2,-dimethylcyclopropane carboxamide, (s)-(r)-(+)-2,2-dimethyl cyclopropane carboxamide

Molecular Formula

C₆H₁₁NO

Molecular Weight

113.16 g/mol

InChI Key

YBZQRYWKYBZZNT-SCSAIBSYSA-N

1 2D Structure

CAS 75885-58-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1S)-2,2-dimethylcyclopropane-1-carboxamide

2.1.2 InChI

InChI=1S/C6H11NO/c1-6(2)3-4(6)5(7)8/h4H,3H2,1-2H3,(H2,7,8)/t4-/m1/s1

2.1.3 InChI Key

YBZQRYWKYBZZNT-SCSAIBSYSA-N

2.1.4 Canonical SMILES

CC1(CC1C(=O)N)C

2.1.5 Isomeric SMILES

CC1(C[C@@H]1C(=O)N)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 75885-58-4

2. (s)-(+)-2,2-dimethylcyclopropanecarboxamide

3. (s)-(+)-2,2-dimethylcyclopropane Carboxamide

4. (1s)-2,2-dimethylcyclopropane-1-carboxamide

5. (s)-(+)-2,2,-dimethylcyclopropane Carboxamide

6. (s)-(r)-(+)-2,2-dimethyl Cyclopropane Carboxamide

7. (1s)-2,2-dimethylcyclopropanecarboxamide

8. (s)-(+)-2,2-dimethylcyclo-propane Carboxamide

9. Cyclopropanecarboxamide, 2,2-dimethyl-, (1s)-

10. (s)-2,2-dimethylcyclopropane-1-carboxamide

11. (s)-2,2-dimethyl-cyclopropanecarboxylic Acid Amide

12. Mfcd00216614

13. Einecs 278-334-3

14. Schembl238946

15. Zinc158275

16. Akos006238138

17. Akos015842157

18. Cs-w013652

19. (1s)-2,2-dimethylcyclopropancarboxamide

20. (s)-2,2-dimethyl Cyclopropanecarboxamid

21. (s)-2,2-dimethylcyclopropane Carboxamide

22. Ts-01574

23. (1s)-2,2-dimethylcyclo-propanecarboxamide

24. (s) 2,2-dimethyl Cyclopropane Carboxamide

25. A9635

26. D3676

27. S-(+)-2,2-dimethyl Cyclopropane Carboxamide

28. (

29. S

30. )-(+)-22-dimethylcyclopropanecarboxamide

31. S-(+)-2,2-dimethylcyclopropane-1-carboxamide

32. (s)-(+)-2,2-dimethyl Cyclopropane Carboxamide

33. 885d584

34. (s)-(+)-2,2-dimethylcyclopropanecarboxamide, 98%

35. W-104385

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₁NO
Molecular Weight	113.16 g/mol
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	113.084063974 g/mol
Monoisotopic Mass	113.084063974 g/mol
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	129
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