| CAS Number | 40000-69-9 |
| Catalog Number | AG01BDGK(AGN-PC-00TPRJ) |
| Chemical Name | N-(Pyridin-2-Yl)Prop-2-Enamide |
| IUPAC Name | N-pyridin-2-ylprop-2-enamide |
| InChI | InChI=1S/C8H8N2O/c1-2-8(11)10-7-5-3-4-6-9-7/h2-6H,1H2,(H,9,10,11) |
| InChI Key | ZUKUBTGXSHTDHA-UHFFFAOYSA-N |
| MDL Number | MFCD00596317 |
| Molecular Formula | C8H8N2O |
| Molecular Weight | 148.1619 |
| SMILES | N1=C(C=CC=C1)NC(C=C)=O |
| Synonyms | N-(pyridin-2-yl)prop-2-enamide,
40000-69-9,
2-Propenamide, N-2-pyridinyl-,
CHEMBL2426254,
2-acrylamidopyridine,
N-(2-pyridyl)acrylamide,
SCHEMBL1147615,
CTK1D4862,
DTXSID30432779,
BDBM50048525,
ZINC34027328,
AKOS009808678,
VS-0119,
N-pyridin-2-ylprop-2-enamide,
CID9920419,
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| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 148.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.165g/mol |
| Monoisotopic Mass | 148.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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