1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(7Z)-5-benzyl-7-hydroxyimino-5-azaspiro[2.4]heptan-4-one

2.1.2 InChI

InChI=1S/C13H14N2O2/c16-12-13(6-7-13)11(14-17)9-15(12)8-10-4-2-1-3-5-10/h1-5,17H,6-9H2/b14-11+

2.1.3 InChI Key

IIEDFFXQMZVILI-SDNWHVSQSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 129306-06-5

2. (7z)-5-benzyl-7-hydroxyimino-5-azaspiro[2.4]heptan-4-one

3. 5-azaspiro[2.4]heptane-4,7-dione,5-(phenylmethyl)-,7-oxime

4. (z)-5-benzyl-7-(hydroxyimino)-5-azaspiro[2.4]heptan-4-one

5. 5-benzyl-7-(hydroxyimino)-5-azaspiro[2.4]heptan-4-one

6. Mfcd31642696

7. Schembl8775485

8. Cs-b1282

9. Mfcd30491816

10. Akos037650604

11. Cs-15055

12. F18513

2.3 Create Date

2012-08-19

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₄N₂O₂
Molecular Weight	230.26 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	52.9
Heavy Atom Count	17
Formal Charge	0
Complexity	354
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 129306-06-5