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Oxindole
CAS: 59-48-3 | C8H7NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
59-48-3
Molecular Formula:
C8H7NO
Molecular Weight:
133.14999999999995 g/mol
Names and Synonyms:
Oxindole
2H-Indol-2-one, 1,3-dihydro-
Oxindole
2-Indolinone
1,3-Dihydro-2H-indol-2-one
Oxindol
2-Oxoindoline
2-Oxindole
Indol-2(3H)-one
1,3-Dihydroindol-2-one
2-Indolone
Indoline-2-one
2-Oxoindole
NSC 274863
2-Oxo-2,3-dihydroindole
2,3-Dihydro-1H-indol-2-one
Identifiers:
SMILES:
OC1=Nc2ccccc2C1
InChI:
InChI=1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10)
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 133.14999999999995 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 133.052763844 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 32.59 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.8307 | RDKit |
| cas-inchi | InChI=1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10) None | Legacy Database |
| cas-inchi-key | InChIKey=JYGFTBXVXVMTGB-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 128 °C None | Legacy Database |
| cas-name | Oxindole None | Legacy Database |
| wikipedia-name | Oxindole None | Legacy Database |
| cas-canonical-smile | O=C1NC=2C=CC=CC2C1 None | Legacy Database |
| molecular_mass | 133.15 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Oxindole None | Legacy Database |
| cas-boiling-point | 227 °C None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 39.86980000000002 | RDKit |
