| CAS Number | 1250578-48-3 |
| Catalog Number | AG01BCXC(AGN-PC-0WOSSP) |
| Chemical Name | 1-Benzyl-3-(methylamino)pyrrolidin-2-one |
| IUPAC Name | 1-benzyl-3-(methylamino)pyrrolidin-2-one |
| InChI | InChI=1S/C12H16N2O/c1-13-11-7-8-14(12(11)15)9-10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3 |
| InChI Key | ODKNMKPCCBAERN-UHFFFAOYSA-N |
| MDL Number | MFCD14689546 |
| Molecular Formula | C12H16N2O |
| Molecular Weight | 204.2682 |
| SMILES | CNC1C(=O)N(CC2=CC=CC=C2)CC1 |
| Synonyms | 1-benzyl-3-(methylamino)pyrrolidin-2-one,
1250578-48-3,
SCHEMBL7937461,
AKOS010811122,
MCULE-3818439003,
NE39147,
Z1827898532,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.273g/mol |
| Monoisotopic Mass | 204.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number