| CAS Number | 1932367-57-1 |
| Catalog Number | AG00J2SJ(AGN-PC-0WRAQL) |
| Chemical Name | Rac-(3aR,7aS)-5-methyloctahydro-4H-pyrrolo[3,4-c]pyridin-4-one |
| IUPAC Name | (3aR,7aS)-5-methyl-2,3,3a,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-4-one |
| InChI | InChI=1S/C8H14N2O/c1-10-3-2-6-4-9-5-7(6)8(10)11/h6-7,9H,2-5H2,1H3/t6-,7+/m1/s1 |
| InChI Key | WMDTZODKQITGAM-RQJHMYQMSA-N |
| MDL Number | MFCD30737482 |
| Molecular Formula | C8H14N2O |
| Molecular Weight | 154.2096 |
| SMILES | C1(=O)N(C)CC[C@@H]2CNC[C@H]12 |
| Synonyms | Rac-(3aR,7aS)-5-methyloctahydro-4H-pyrrolo[3,4-c]pyridin-4-one,
1932367-57-1,
MFCD30737482,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.213g/mol |
| Monoisotopic Mass | 154.111g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number