| CAS Number | 2126144-11-2 |
| Catalog Number | AG01E8ER |
| Chemical Name | 1-((3AR,6aS)-hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)ethan-1-one hydrochloride |
| IUPAC Name | 1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]ethanone;hydrochloride |
| InChI | InChI=1S/C8H14N2O.ClH/c1-6(11)10-4-7-2-9-3-8(7)5-10;/h7-9H,2-5H2,1H3;1H/t7-,8+; |
| InChI Key | MDIPTUCBYZWLLE-KVZVIFLMSA-N |
| MDL Number | MFCD30750058 |
| Molecular Formula | C8H15ClN2O |
| Molecular Weight | 190.6705 |
| SMILES | CC(N1C[C@@](CNC2)([H])[C@@]2([H])C1)=O.[H]Cl |
| Synonyms | 1-((3aR,6aS)-Hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)ethan-1-one hydrochloride,
2126144-11-2,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.671g/mol |
| Monoisotopic Mass | 190.087g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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