| CAS Number | 62506-05-2 |
| Catalog Number | AG01EK31(AGN-PC-0ODR5Q) |
| Chemical Name | (3aR,6aS)-octahydrocyclopenta[c]pyrrole-1,3-dione |
| IUPAC Name | (3aS,6aR)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione |
| InChI | InChI=1S/C7H9NO2/c9-6-4-2-1-3-5(4)7(10)8-6/h4-5H,1-3H2,(H,8,9,10)/t4-,5+ |
| InChI Key | QCWDCTDYSDJKTP-SYDPRGILSA-N |
| MDL Number | MFCD12964671 |
| Molecular Formula | C7H9NO2 |
| Molecular Weight | 139.1519 |
| SMILES | O=C1[C@@H]2[C@@H](CCC2)C(=O)N1 |
| Synonyms | ZINC100038419,
62506-05-2,
CS-0080987,
(3aR,6aS)-Tetrahydrocyclopenta[c]pyrrole-1,3(2H,3aH)-dione,
(3AR,6AS)-REL-TETRAHYDRO-CYCLOPENTA[C]PYRROLE-1,3(2H,3AH)-DIONE, cis,
cis-Tetrahydrocyclopenta[c]pyrrole-1,3(2H,3aH)-dione,
(3ar,6as)-rel-tetrahydro-cyclopenta[c]pyrrole-1,3(2h,3ah)-dione,
5763-44-0,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.154g/mol |
| Monoisotopic Mass | 139.063g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number