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Molecule
6-Hydroxy-3,4-Dihydro-2(1H)-Quinolinone
CAS: 54197-66-9 · C9H9NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 54197-66-9
- Molecular Formula
- C9H9NO2
- Molecular Mass
- 163.18 g/mol
Identifiers
CAS Registry Number
54197-66-9
SMILES
O=C1CCc2cc(O)ccc2N1
InChI Key
HOSGXJWQVBHGLT-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO2/c11-7-2-3-8-6(5-7)1-4-9(12)10-8/h2-3,5,11H,1,4H2,(H,10,12)
Names and Synonyms
- 6-Hydroxy-3,4-Dihydro-2(1H)-Quinolinone Synonym
- 2(1H)-Quinolinone, 3,4-dihydro-6-hydroxy- Synonym
- Carbostyril, 3,4-dihydro-6-hydroxy- Synonym
- Hydrocarbostyril, 6-hydroxy- Synonym
- 3,4-Dihydro-6-hydroxy-2(1H)-quinolinone Synonym
- 6-Hydroxy-3,4-dihydrocarbostyril Synonym
- 6-Hydroxy-1,2,3,4-tetrahydro-2-quinolinone Synonym
- 3,4-Dihydro-6-hydroxycarbostyril Synonym
- 6-Hydroxy-2-oxo-1,2,3,4-tetrahydroquinoline Synonym
- 6-Hydroxy-3,4-dihydro-2(1H)-quinolinone Synonym
- 6-Hydroxy-3,4-dihydro-1H-quinolin-2-one Synonym
- 2-Oxo-1,2,3,4-tetrahydroquinolin-6-ol Synonym
- 3,4-Dihydroquinoline-2,6-diol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 163.18 g/mol | CAS Common Chemistry |
| 163.176 g/mol | RDKit | |
| Canonical SMILES | O=C1NC2=CC=C(O)C=C2CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H9NO2/c11-7-2-3-8-6(5-7)1-4-9(12)10-8/h2-3,5,11H,1,4H2,(H,10,12) | CAS Common Chemistry |
| InChI Key | InChIKey=HOSGXJWQVBHGLT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 230 °C | CAS Common Chemistry |
| Name | 6-Hydroxy-3,4-dihydro-2(1H)-quinolinone | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 49.33 Ų | RDKit |
| LogP | 1.2769 | RDKit |
| Molar Refractivity | 45.05750000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 163.063328528 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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200 ppm
180
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20
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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.
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MW = 163.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H9NO2.
