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Home > Indoles and Oxindole > 19155-24-9
19155-24-9 | 2H-Indol-2-one, 1,3-dihydro-3,3-dimethyl-
CAS No: 19155-24-9 Catalog No: AG002FBY MDL No:MFCD00158549
Product Description
Catalog Number:
AG002FBY
Chemical Name:
2H-Indol-2-one, 1,3-dihydro-3,3-dimethyl-
CAS Number:
19155-24-9
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD00158549
IUPAC Name:
3,3-dimethyl-1H-indol-2-one
InChI:
InChI=1S/C10H11NO/c1-10(2)7-5-3-4-6-8(7)11-9(10)12/h3-6H,1-2H3,(H,11,12)
InChI Key:
KEZHRKOVLKUYCQ-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1(C)C)cccc2
NSC Number:
226200
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Fragment-based discovery of 6-substituted isoquinolin-1-amine based ROCK-I inhibitors. | Bioorganic & medicinal chemistry letters 20110101 |
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