| CAS Number | 136788-11-9 |
| Catalog Number | AG00HUOX(AGN-PC-0WR4CR) |
| Chemical Name | 1-Benzyl-3,3-dimethylpyrrolidin-2-one |
| IUPAC Name | 1-benzyl-3,3-dimethylpyrrolidin-2-one |
| InChI | InChI=1S/C13H17NO/c1-13(2)8-9-14(12(13)15)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3 |
| InChI Key | ZEIUIUXHGDXWTR-UHFFFAOYSA-N |
| MDL Number | MFCD30834454 |
| Molecular Formula | C13H17NO |
| Molecular Weight | 203.2802 |
| SMILES | O=C1N(CCC1(C)C)Cc1ccccc1 |
| Synonyms | 1-Benzyl-3,3-dimethylpyrrolidin-2-one,
136788-11-9,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.285g/mol |
| Monoisotopic Mass | 203.131g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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