| CAS Number | 74499-07-3 |
| Catalog Number | AG01AFX9 |
| Chemical Name | 4-methyl-4-phenylpyrrolidin-2-one |
| IUPAC Name | 4-methyl-4-phenylpyrrolidin-2-one |
| InChI | InChI=1S/C11H13NO/c1-11(7-10(13)12-8-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13) |
| InChI Key | JHXOTRGSEUYRHN-UHFFFAOYSA-N |
| MDL Number | MFCD02955556 |
| Molecular Formula | C11H13NO |
| Molecular Weight | 175.2270 |
| SMILES | CC1(C2=CC=CC=C2)CC(=O)NC1 |
| Synonyms | 4-methyl-4-phenylpyrrolidin-2-one,
74499-07-3,
AC1NEJSY,
ChemDiv3_014964,
SCHEMBL12898108,
HMS1515I04,
4-methyl-4-phenyl-2-pyrrolidinone,
STK105309,
AKOS003658301,
AKOS017536926,
MCULE-5329005555,
NE23046,
EU-0075987,
AO-365/15160012,
F1913-0373,
ZINC00177684,
CID4593357,
|
| Complexity | 208 |
| 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 | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number