| CAS Number | 21121-49-3 |
| Catalog Number | AG01A3YJ |
| Chemical Name | 3-oxo-2-azabicyclo[2.2.2]octane-1-carboxamide |
| IUPAC Name | 3-oxo-2-azabicyclo[2.2.2]octane-1-carboxamide |
| InChI | InChI=1S/C8H12N2O2/c9-7(12)8-3-1-5(2-4-8)6(11)10-8/h5H,1-4H2,(H2,9,12)(H,10,11) |
| InChI Key | ZJFZROAUBAUZLZ-UHFFFAOYSA-N |
| MDL Number | MFCD20705021 |
| Molecular Formula | C8H12N2O2 |
| Molecular Weight | 168.1931 |
| SMILES | NC(C12NC(=O)C(CC1)CC2)=O |
| Synonyms | 3-oxo-2-azabicyclo[2.2.2]octane-1-carboxamide,
21121-49-3,
SCHEMBL16391754,
SCHEMBL18116641,
ZINC88613730,
NE54191,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.196g/mol |
| Monoisotopic Mass | 168.09g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 72.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number