| CAS Number | 181289-23-6 |
| Catalog Number | AG01CC9Z(AGN-PC-0WH5O5) |
| Chemical Name | (S)-Pregabalin Lactam |
| IUPAC Name | (4S)-4-(2-methylpropyl)pyrrolidin-2-one |
| InChI | InChI=1S/C8H15NO/c1-6(2)3-7-4-8(10)9-5-7/h6-7H,3-5H2,1-2H3,(H,9,10)/t7-/m0/s1 |
| InChI Key | GUGXRXLTTHFKHC-ZETCQYMHSA-N |
| MDL Number | MFCD19217624 |
| Molecular Formula | C8H15NO |
| Molecular Weight | 141.2108 |
| SMILES | O=C1C[C@@H](CN1)CC(C)C |
| Synonyms | (S)-4-Isobutylpyrrolidin-2-one,
181289-23-6,
4alpha-Isobutyl-2-pyrrolidone,
SCHEMBL268203,
GUGXRXLTTHFKHC-ZETCQYMHSA-N,
ZINC19091888,
CS-0096516,
Pregabalin Impurity 8,
AJ-71709,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 141.115364g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 141.21g/mol |
| Monoisotopic Mass | 141.115364g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number