| CAS Number | 1823254-83-6 |
| Catalog Number | AG01BVO4 |
| Chemical Name | tert-butyl 6-oxohexahydrocyclopenta[b]pyrrole-1(2H)-carboxylate |
| IUPAC Name | tert-butyl 6-oxo-2,3,3a,4,5,6a-hexahydrocyclopenta[b]pyrrole-1-carboxylate |
| InChI | InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-7-6-8-4-5-9(14)10(8)13/h8,10H,4-7H2,1-3H3 |
| InChI Key | XBYLWHVCSNQMDJ-UHFFFAOYSA-N |
| MDL Number | MFCD24848161 |
| Molecular Formula | C12H19NO3 |
| Molecular Weight | 225.2842 |
| SMILES | N1(C(OC(C)(C)C)=O)C2C(CCC2CC1)=O |
| Synonyms | tert-butyl 6-oxo-octahydrocyclopenta[b]pyrrole-1-carboxylate,
1823254-83-6,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.288g/mol |
| Monoisotopic Mass | 225.136g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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