| CAS Number | 30125-76-9 |
| Catalog Number | AG01BH1C(AGN-PC-0N7V4U) |
| Chemical Name | 1-Benzylpyrrolidine-2,4-dione |
| IUPAC Name | 1-benzylpyrrolidine-2,4-dione |
| InChI | InChI=1S/C11H11NO2/c13-10-6-11(14)12(8-10)7-9-4-2-1-3-5-9/h1-5H,6-8H2 |
| InChI Key | QELVYIQQUJJODY-UHFFFAOYSA-N |
| MDL Number | MFCD21943663 |
| Molecular Formula | C11H11NO2 |
| Molecular Weight | 189.2105 |
| SMILES | O=C1CC(=O)N(CC2=CC=CC=C2)C1 |
| Synonyms | 1-benzylpyrrolidine-2,4-dione,
30125-76-9,
N-benzylpyrrolidine-2,4-dione,
1-benzyl-2,4-pyrrolidinedione,
SCHEMBL9686511,
DTXSID60442700,
MFCD21943663,
ZINC39117136,
AKOS018073180,
2,4-Pyrrolidinedione, 1-(phenylmethyl)-,
Z1946684539,
CID10631496,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.214g/mol |
| Monoisotopic Mass | 189.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number