| CAS Number | 1040743-30-3 |
| Catalog Number | AG01B24V |
| Chemical Name | 1-[(E)-2-iodoethenyl]pyrrolidin-2-one |
| IUPAC Name | 1-(2-iodoethenyl)pyrrolidin-2-one |
| InChI | InChI=1S/C6H8INO/c7-3-5-8-4-1-2-6(8)9/h3,5H,1-2,4H2 |
| InChI Key | RDZHARZRINKLMR-UHFFFAOYSA-N |
| MDL Number | MFCD30342739 |
| Molecular Formula | C6H8INO |
| Molecular Weight | 237.0383 |
| SMILES | I/C=C/N1C(=O)CCC1 |
| Synonyms | 1-(2-iodoethenyl)pyrrolidin-2-one,
1040743-30-3,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.04g/mol |
| Monoisotopic Mass | 236.965g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number