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Home > Indoles and Oxindole > 2597-29-7
2597-29-7 | 2H-Indol-2-one, 3-ethylidene-1,3-dihydro-
CAS No: 2597-29-7 Catalog No: AG002R8T MDL No:
Product Description
Catalog Number:
AG002R8T
Chemical Name:
2H-Indol-2-one, 3-ethylidene-1,3-dihydro-
CAS Number:
2597-29-7
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
IUPAC Name:
3-ethylidene-1H-indol-2-one
InChI:
InChI=1S/C10H9NO/c1-2-7-8-5-3-4-6-9(8)11-10(7)12/h2-6H,1H3,(H,11,12)
InChI Key:
OXFIOEDMLFSOAN-UHFFFAOYSA-N
SMILES:
CC=C1C(=O)Nc2c1cccc2
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of 3-ethylidene-1,3-dihydro-indol-2-ones as novel checkpoint 1 inhibitors. | Bioorganic & medicinal chemistry letters 20060115 |
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