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Home > Other Heterocycles > 92577-31-6
92577-31-6 | spiro(3-azabicyclo(3.1.0)hexane-6,1'-cyclopentane)-1,5-dicarbonitrile, 3-methyl-2,4-dioxo-
CAS No: 92577-31-6 Catalog No: AG0063W4 MDL No:
Product Description
Catalog Number:
AG0063W4
Chemical Name:
spiro(3-azabicyclo(3.1.0)hexane-6,1'-cyclopentane)-1,5-dicarbonitrile, 3-methyl-2,4-dioxo-
CAS Number:
92577-31-6
Molecular Formula:
C12H11N3O2
Molecular Weight:
229.2346
IUPAC Name:
3-methyl-2,4-dioxospiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopentane]-1,5-dicarbonitrile
InChI:
InChI=1S/C12H11N3O2/c1-15-8(16)11(6-13)10(4-2-3-5-10)12(11,7-14)9(15)17/h2-5H2,1H3
InChI Key:
PRKKUDMNXHEZBC-UHFFFAOYSA-N
SMILES:
CN1C(=O)C2(C(C1=O)(C12CCCC1)C#N)C#N
NSC Number:
98364
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.239g/mol
Monoisotopic Mass:
229.085g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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