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Molecule
2-Oxo-2,3-Dihydro-1H-Indole-6-Carboxylic Acid Methyl Ester
CAS: 14192-26-8 · C10H9NO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14192-26-8
- Molecular Formula
- C10H9NO3
- Molecular Mass
- 191.19 g/mol
Identifiers
CAS Registry Number
14192-26-8
SMILES
COC(=O)c1ccc2c(c1)N=C(O)C2
InChI Key
YFTGUNWFFVDLNM-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO3/c1-14-10(13)7-3-2-6-5-9(12)11-8(6)4-7/h2-4H,5H2,1H3,(H,11,12)
Names and Synonyms
- 2-Oxo-2,3-Dihydro-1H-Indole-6-Carboxylic Acid Methyl Ester Synonym
- 1H-Indole-6-carboxylic acid, 2,3-dihydro-2-oxo-, methyl ester Synonym
- 6-Indolinecarboxylic acid, 2-oxo-, methyl ester Synonym
- 6-(Methoxycarbonyl)-2-indolone Synonym
- Methyl 2-oxoindoline-6-carboxylate Synonym
- 2-Oxo-2,3-Dihydro-1H-indole-6-carboxylic acid methyl ester Synonym
- Methyl 2-oxindole-6-carboxylate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 191.19 g/mol | CAS Common Chemistry |
| 191.18599999999998 g/mol | RDKit | |
| 191.186 g/mol | RDKit | |
| Canonical SMILES | O=C(OC)C1=CC=C2C(=C1)NC(=O)C2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H9NO3/c1-14-10(13)7-3-2-6-5-9(12)11-8(6)4-7/h2-4H,5H2,1H3,(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=YFTGUNWFFVDLNM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Oxo-2,3-Dihydro-1H-indole-6-carboxylic acid methyl ester | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 58.89 Ų | RDKit |
| LogP | 1.6173000000000002 | RDKit |
| 1.6173 | RDKit | |
| Molar Refractivity | 51.20930000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 191.058243148 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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| 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 = 191.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H9NO3.
