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89143-36-2 | 2,5-Pyrrolidinedione, 1-(5-methyl-3-isoxazolyl)-3-(1-piperidinyl)-
CAS No: 89143-36-2 Catalog No: AG003YTA MDL No:
Product Description
Catalog Number:
AG003YTA
Chemical Name:
2,5-Pyrrolidinedione, 1-(5-methyl-3-isoxazolyl)-3-(1-piperidinyl)-
CAS Number:
89143-36-2
Molecular Formula:
C13H17N3O3
Molecular Weight:
263.2924
IUPAC Name:
1-(5-methyl-1,2-oxazol-3-yl)-3-piperidin-1-ylpyrrolidine-2,5-dione
InChI:
InChI=1S/C13H17N3O3/c1-9-7-11(14-19-9)16-12(17)8-10(13(16)18)15-5-3-2-4-6-15/h7,10H,2-6,8H2,1H3
InChI Key:
FRERRUOTTDADLM-UHFFFAOYSA-N
SMILES:
O=C1C(CC(=O)N1c1noc(c1)C)N1CCCCC1
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.297g/mol
Monoisotopic Mass:
263.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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