| CAS Number | 57080-45-2 |
| Catalog Number | AG00IA6M |
| Chemical Name | 4-Methyl-4-pentenamide |
| IUPAC Name | 4-methylpent-4-enamide |
| InChI | InChI=1S/C6H11NO/c1-5(2)3-4-6(7)8/h1,3-4H2,2H3,(H2,7,8) |
| InChI Key | YQFFOEXPURTKPQ-UHFFFAOYSA-N |
| MDL Number | MFCD19206496 |
| Molecular Formula | C6H11NO |
| Molecular Weight | 113.1576 |
| SMILES | CC(=C)CCC(N)=O |
| Synonyms | 4-Methyl-4-pentenamide,
57080-45-2,
4-methylpent-4-enamide,
SCHEMBL6218947,
AKOS006362279,
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| Complexity | 107 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 113.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 113.16g/mol |
| Monoisotopic Mass | 113.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number