| CAS Number | 81976-70-7 |
| Catalog Number | AG0055EV(AGN-PC-0N167E) |
| Chemical Name | 2-Pyrrolidinone, 3-(phenylmethyl)- |
| IUPAC Name | 3-benzylpyrrolidin-2-one |
| InChI | InChI=1S/C11H13NO/c13-11-10(6-7-12-11)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13) |
| InChI Key | KWFHSBMVLYCBQP-UHFFFAOYSA-N |
| MDL Number | MFCD11848652 |
| Molecular Formula | C11H13NO |
| Molecular Weight | 175.2270 |
| SMILES | O=C1NCCC1Cc1ccccc1 |
| Synonyms | 3-benzylpyrrolidin-2-one,
81976-70-7,
2-Pyrrolidinone, 3-(phenylmethyl)-,
F2147-1633,
3-(phenylmethyl)-2-pyrrolidinone,
3-benzyl-2-pyrrolidinone,
3-Benzyl-2-pyrrolizinone,
CHEMBL55712,
SCHEMBL837901,
CTK2I6827,
DTXSID00437135,
KWFHSBMVLYCBQP-UHFFFAOYSA-N,
AKOS024627769,
MCULE-7108878098,
SC-22331,
FT-0726317,
Z2168277541,
CID10241299,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.231g/mol |
| Monoisotopic Mass | 175.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number