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Home > Imidazoles > 5768-79-6
5768-79-6 | Hexahydro-3H-pyrrolo[1,2-c]imidazole-1,3-dione
CAS No: 5768-79-6 Catalog No: AG00ECQB MDL No:MFCD01851016
Product Description
Catalog Number:
AG00ECQB
Chemical Name:
Hexahydro-3H-pyrrolo[1,2-c]imidazole-1,3-dione
CAS Number:
5768-79-6
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
MDL Number:
MFCD01851016
IUPAC Name:
5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
InChI:
InChI=1S/C6H8N2O2/c9-5-4-2-1-3-8(4)6(10)7-5/h4H,1-3H2,(H,7,9,10)
InChI Key:
CLHGAFMJSNFVRM-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C2N1CCC2
NSC Number:
49886
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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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