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13314-97-1 | 2,5-Pyrrolidinedione, 1-(4-morpholinylmethyl)-
CAS No: 13314-97-1 Catalog No: AG0014BD MDL No:
Product Description
Catalog Number:
AG0014BD
Chemical Name:
2,5-Pyrrolidinedione, 1-(4-morpholinylmethyl)-
CAS Number:
13314-97-1
Molecular Formula:
C9H14N2O3
Molecular Weight:
198.2191
IUPAC Name:
1-(morpholin-4-ylmethyl)pyrrolidine-2,5-dione
InChI:
InChI=1S/C9H14N2O3/c12-8-1-2-9(13)11(8)7-10-3-5-14-6-4-10/h1-7H2
InChI Key:
YQXGXEUSFRFHRR-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)N1CN1CCOCC1
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.222g/mol
Monoisotopic Mass:
198.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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