1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-imino-1,3-diazabicyclo[3.1.0]hexan-2-one

2.1.2 InChI

InChI=1S/C4H5N3O/c5-3-2-1-7(2)4(8)6-3/h2H,1H2,(H2,5,6,8)

2.1.3 InChI Key

BIXBBIPTYBJTRY-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

8F63U28T2V

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Bm 06002

2. Ceruloplasmin Human

3. Imexon [inn]

4. Imexon [usan:inn]

5. Imexonum [inn-latin]

6. Imexon [usan]

7. Imexon [who-dd]

8. Imexon [mart.]

9. Unii-8f63u28t2v

10. Bixbbiptybjtry-uhfffaoysa-n

11. Glxc-05149

12. Jaa03137

13. Einecs 261-838-2

14. Cs-6825

15. Nsc 313425

16. Da-54278

17. Hy-15385

18. Q6003924

19. (5rs)-4-amino-1,3-diazabicyclo[3.1.0]hex-3-en-2-one

2.4 Create Date

2019-01-28

3 Chemical and Physical Properties

Molecular Formula	C₄H₅N₃O
Molecular Weight	111.10 g/mol
XLogP3	-1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	56
Heavy Atom Count	8
Formal Charge	0
Complexity	176
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

1,3-Diazabicyclo(3.1.0)hex-3-EN-2-one, 4-amino-