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Molecule
Oxindole
CAS: 59-48-3 · C8H7NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 59-48-3
- Molecular Formula
- C8H7NO
- Molecular Mass
- 133.15 g/mol
Identifiers
CAS Registry Number
59-48-3
SMILES
OC1=Nc2ccccc2C1
InChI Key
JYGFTBXVXVMTGB-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10)
Names and Synonyms
- Oxindole Synonym
- 2H-Indol-2-one, 1,3-dihydro- Synonym
- Oxindole Synonym
- 2-Indolinone Synonym
- 1,3-Dihydro-2H-indol-2-one Synonym
- Oxindol Synonym
- 2-Oxoindoline Synonym
- 2-Oxindole Synonym
- Indol-2(3H)-one Synonym
- 1,3-Dihydroindol-2-one Synonym
- 2-Indolone Synonym
- Indoline-2-one Synonym
- 2-Oxoindole Synonym
- NSC 274863 Synonym
- 2-Oxo-2,3-dihydroindole Synonym
- 2,3-Dihydro-1H-indol-2-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 133.15 g/mol | CAS Common Chemistry |
| 133.14999999999995 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Oxindole | CAS Common Chemistry |
| Boiling Point | 227 °C | CAS Common Chemistry |
| Canonical SMILES | O=C1NC=2C=CC=CC2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=JYGFTBXVXVMTGB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 128 °C | CAS Common Chemistry |
| Name | Oxindole | CAS Common Chemistry |
| Heavy Atom Count | 10 | 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 | 1.8307 | RDKit |
| Molar Refractivity | 39.86980000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 133.052763844 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
120
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60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 133.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H7NO.
