1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

2.1.2 InChI

InChI=1S/C7H9NO2/c1-7(2)3-4(7)6(10)8-5(3)9/h3-4H,1-2H3,(H,8,9,10)

2.1.3 InChI Key

DRMNZTFLOOSXIN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1(C2C1C(=O)NC2=O)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 194421-56-2

2. 3,3-dimethylcyclopropane-1,2-dicarboximide

3. 3-azabicyclo[3.1.0]hexane-2,4-dione, 6,6-dimethyl-

4. Schembl8031189

5. Ampd00084

6. Dtxsid70444250

7. Cs-m1916

8. Mfcd12923551

9. Rb3293

10. Akos014165617

11. Am85648

12. Cs-w000230

13. Cs-13069

14. Da-18292

15. Ft-0696411

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₉NO₂
Molecular Weight	139.15 g/mol
XLogP3	0
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	139.063328530 g/mol
Monoisotopic Mass	139.063328530 g/mol
Topological Polar Surface Area	46.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	210
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 194421-56-2