3-Isonicotinoyl-1-vinylazepan-2-one - CAS 878209-04-2
Catalog: |
BB063867 |
Product Name: |
3-Isonicotinoyl-1-vinylazepan-2-one |
CAS: |
878209-04-2 |
Synonyms: |
3-ISONICOTINOYL-1-VINYLAZEPAN-2-ONE; 1-ethenyl-3-(pyridin-4-ylcarbonyl)azepan-2-one; 1-ETHENYL-3-(PYRIDINE-4-CARBONYL)AZEPAN-2-ONE; 3-(4-pyridylcarbonyl)-1-vinyl-2-azepanone |
IUPAC Name: | 1-ethenyl-3-(pyridine-4-carbonyl)azepan-2-one |
Description: | 3-Isonicotinoyl-1-vinylazepan-2-one |
Molecular Weight: | 244.29 |
Molecular Formula: | C14H16N2O2 |
Canonical SMILES: | C=CN1CCCCC(C1=O)C(=O)C2=CC=NC=C2 |
InChI: | InChI=1S/C14H16N2O2/c1-2-16-10-4-3-5-12(14(16)18)13(17)11-6-8-15-9-7-11/h2,6-9,12H,1,3-5,10H2 |
InChI Key: | OUXUWUZGOHBWLA-UHFFFAOYSA-N |
Complexity: | 335 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.121177757 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.121177757 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 50.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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