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126101-08-4 | 1H-Pyrrolo[1,2-a]imidazole-7a(5H)-carboxylic acid, tetrahydro-2,5-dioxo-, ethyl ester
CAS No: 126101-08-4 Catalog No: AG000RMS MDL No:
Product Description
Catalog Number:
AG000RMS
Chemical Name:
1H-Pyrrolo[1,2-a]imidazole-7a(5H)-carboxylic acid, tetrahydro-2,5-dioxo-, ethyl ester
CAS Number:
126101-08-4
Molecular Formula:
C9H12N2O4
Molecular Weight:
212.2026
IUPAC Name:
ethyl 2,5-dioxo-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylate
InChI:
InChI=1S/C9H12N2O4/c1-2-15-8(14)9-4-3-7(13)11(9)5-6(12)10-9/h2-5H2,1H3,(H,10,12)
InChI Key:
NMTFYGSVZJZCNA-UHFFFAOYSA-N
SMILES:
CCOC(=O)C12CCC(=O)N2CC(=O)N1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.205g/mol
Monoisotopic Mass:
212.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
Literature
| Title | Journal |
|---|---|
| Synthesis and pharmacological activity of a series of dihydro-1H-pyrrolo[1,2-a]imidazole-2,5(3H,6H)-diones, a novel class of potent cognition enhancers. | Journal of medicinal chemistry 19931224 |
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