| CAS Number | 51101-44-1 |
| Catalog Number | AG01C2UJ(AGN-PC-01N69O) |
| Chemical Name | 4-(Iodomethyl)pyrrolidin-2-one |
| IUPAC Name | 4-(iodomethyl)pyrrolidin-2-one |
| InChI | InChI=1S/C5H8INO/c6-2-4-1-5(8)7-3-4/h4H,1-3H2,(H,7,8) |
| InChI Key | DOFCYFZAIZKPIY-UHFFFAOYSA-N |
| MDL Number | MFCD29060316 |
| Molecular Formula | C5H8INO |
| Molecular Weight | 225.0276 |
| SMILES | ICC1CC(=O)NC1 |
| Synonyms | 4-(iodomethyl)pyrrolidin-2-one,
51101-44-1,
SCHEMBL3124551,
|
| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.029g/mol |
| Monoisotopic Mass | 224.965g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number