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16097-19-1 | 2(1H)-Pyridinone, 3-(2-phenylethyl)-
CAS No: 16097-19-1 Catalog No: AG001VJV MDL No:
Product Description
Catalog Number:
AG001VJV
Chemical Name:
2(1H)-Pyridinone, 3-(2-phenylethyl)-
CAS Number:
16097-19-1
Molecular Formula:
C13H13NO
Molecular Weight:
199.2484
IUPAC Name:
3-(2-phenylethyl)-1H-pyridin-2-one
InChI:
InChI=1S/C13H13NO/c15-13-12(7-4-10-14-13)9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H,14,15)
InChI Key:
AGIAYOIJHFTOSV-UHFFFAOYSA-N
SMILES:
O=c1[nH]cccc1CCc1ccccc1
NSC Number:
108063
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.253g/mol
Monoisotopic Mass:
199.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Discovery of novel phenethylpyridone derivatives as potent melanin-concentrating hormone 1 receptor antagonists. | Bioorganic & medicinal chemistry letters 20090901 |
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