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89143-24-8 | [1,3'-Bipyrrolidine]-2',5'-dione, 1'-(5-methyl-3-isoxazolyl)-
CAS No: 89143-24-8 Catalog No: AG003YTD MDL No:
Product Description
Catalog Number:
AG003YTD
Chemical Name:
[1,3'-Bipyrrolidine]-2',5'-dione, 1'-(5-methyl-3-isoxazolyl)-
CAS Number:
89143-24-8
Molecular Formula:
C12H15N3O3
Molecular Weight:
249.2658
IUPAC Name:
1-(5-methyl-1,2-oxazol-3-yl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
InChI:
InChI=1S/C12H15N3O3/c1-8-6-10(13-18-8)15-11(16)7-9(12(15)17)14-4-2-3-5-14/h6,9H,2-5,7H2,1H3
InChI Key:
JOZDSBUQVWXBSV-UHFFFAOYSA-N
SMILES:
Cc1onc(c1)N1C(=O)CC(C1=O)N1CCCC1
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.27g/mol
Monoisotopic Mass:
249.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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