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5-Methyloxindole
CAS: 3484-35-3 | C9H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3484-35-3
Molecular Formula:
C9H9NO
Molecular Mass:
147.18 g/mol
Names and Synonyms:
5-Methyloxindole
2H-Indol-2-one, 1,3-dihydro-5-methyl-
2-Indolinone, 5-methyl-
Oxindole, 5-methyl-
1,3-Dihydro-5-methyl-2H-indol-2-one
5-Methyloxindole
5-Methyl-2-oxoindoline
5-Methyl-2-oxindole
5-Methyl-2-indolinone
5-Methyl-1,3-dihydro-2H-indol-2-one
Identifiers:
SMILES:
Cc1ccc2c(c1)CC(O)=N2
InChI:
InChI=1S/C9H9NO/c1-6-2-3-8-7(4-6)5-9(11)10-8/h2-4H,5H2,1H3,(H,10,11)
Key Properties
Melting Point
168 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 147.18 g/mol | CAS Common Chemistry |
| 147.17700000000002 g/mol | RDKit | |
| 147.068413908 g/mol | RDKit | |
| Canonical SMILES | O=C1NC2=CC=C(C=C2C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H9NO/c1-6-2-3-8-7(4-6)5-9(11)10-8/h2-4H,5H2,1H3,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=HXQDSHSATAEREW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 168 °C | CAS Common Chemistry |
| Name | 5-Methyloxindole | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 2.1391199999999997 | RDKit |
| Molar Refractivity | 44.606800000000014 | RDKit |
