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Home > Indoles and Oxindole > 3359-49-7
3359-49-7 | 2H-Indol-2-one,1,3-dihydro-3-(phenylmethylene)-
CAS No: 3359-49-7 Catalog No: AG007E38 MDL No:
Product Description
Catalog Number:
AG007E38
Chemical Name:
2H-Indol-2-one,1,3-dihydro-3-(phenylmethylene)-
CAS Number:
3359-49-7
Molecular Formula:
C15H11NO
Molecular Weight:
221.2539
IUPAC Name:
3-benzylidene-1H-indol-2-one
InChI:
InChI=1S/C15H11NO/c17-15-13(10-11-6-2-1-3-7-11)12-8-4-5-9-14(12)16-15/h1-10H,(H,16,17)
InChI Key:
SXJAAQOVTDUZPS-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1=Cc1ccccc1)cccc2
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.259g/mol
Monoisotopic Mass:
221.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Functionalized 3-benzylidene-indolin-2-ones: inducers of NAD(P)H-quinone oxidoreductase 1 (NQO1) with antiproliferative activity. | Bioorganic & medicinal chemistry 20090301 |
| Oxindole-based inhibitors of cyclin-dependent kinase 2 (CDK2): design, synthesis, enzymatic activities, and X-ray crystallographic analysis. | Journal of medicinal chemistry 20011206 |
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