| CAS Number | 91640-09-4 |
| Catalog Number | AG00H4ZF(AGN-PC-00H18I) |
| Chemical Name | 1-Benzyl-5-methylpyrrolidin-2-one |
| IUPAC Name | 1-benzyl-5-methylpyrrolidin-2-one |
| InChI | InChI=1S/C12H15NO/c1-10-7-8-12(14)13(10)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3 |
| InChI Key | DGLZRVVVADDTMJ-UHFFFAOYSA-N |
| MDL Number | MFCD22375225 |
| Molecular Formula | C12H15NO |
| Molecular Weight | 189.2536 |
| SMILES | O=C1N(CC2=CC=CC=C2)C(C)CC1 |
| Synonyms | 1-benzyl-5-methylpyrrolidin-2-one,
91640-09-4,
SCHEMBL2265479,
CTK6B6301,
DGLZRVVVADDTMJ-UHFFFAOYSA-N,
1-Benzyl-5-methylpyrrolidine-2-one,
AKOS033323376,
MCULE-5967885827,
NE16866,
RP24922,
DA-01179,
FT-0717371,
2-Pyrrolidinone, 5-methyl-1-(phenylmethyl)-,
Z1416203541,
1-benzyl-5-methyl-pyrrolidin-2-one,
CID11830201,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.258g/mol |
| Monoisotopic Mass | 189.115g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number