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Molecule
1,3-Dihydro-4-(2-Hydroxyethyl)-2H-Indol-2-One
CAS: 139122-19-3 · C10H11NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 139122-19-3
- Molecular Formula
- C10H11NO2
- Molecular Mass
- 177.20 g/mol
Identifiers
CAS Registry Number
139122-19-3
SMILES
OCCc1cccc2c1CC(O)=N2
InChI Key
QRTHVOUKWCEPKJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H11NO2/c12-5-4-7-2-1-3-9-8(7)6-10(13)11-9/h1-3,12H,4-6H2,(H,11,13)
Names and Synonyms
- 1,3-Dihydro-4-(2-Hydroxyethyl)-2H-Indol-2-One Systematic Name
- 2H-Indol-2-one, 1,3-dihydro-4-(2-hydroxyethyl)- Synonym
- 1,3-Dihydro-4-(2-hydroxyethyl)-2H-indol-2-one Synonym
- 4-(2-Hydroxyethyl)-1,3-dihydroindol-2-one Synonym
- 4-(2-Hydroxyethyl)-1,3-dihydro-2H-indol-2-one Synonym
- 4-(2-Hydroxyethyl)indolin-2-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 177.20 g/mol | CAS Common Chemistry |
| 177.20299999999997 g/mol | RDKit | |
| 177.203 g/mol | RDKit | |
| Canonical SMILES | O=C1NC2=CC=CC(=C2C1)CCO | CAS Common Chemistry |
| InChI | InChI=1S/C10H11NO2/c12-5-4-7-2-1-3-9-8(7)6-10(13)11-9/h1-3,12H,4-6H2,(H,11,13) | CAS Common Chemistry |
| InChI Key | InChIKey=QRTHVOUKWCEPKJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,3-Dihydro-4-(2-hydroxyethyl)-2H-indol-2-one | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 52.82 Ų | RDKit |
| LogP | 1.3655000000000002 | RDKit |
| 1.3655 | RDKit | |
| 1.35 | chempirical lib | |
| Molar Refractivity | 50.65960000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3 | RDKit |
| Exact Mass | 177.078978592 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 = 177.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H11NO2.
