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Molecule
7-Hydroxy-3,4-Dihydro-2(1H)-Quinolinone
CAS: 22246-18-0 · C9H9NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 22246-18-0
- Molecular Formula
- C9H9NO2
- Molecular Mass
- 163.18 g/mol
Identifiers
CAS Registry Number
22246-18-0
SMILES
OC1=Nc2cc(O)ccc2CC1
InChI Key
LKLSFDWYIBUGNT-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO2/c11-7-3-1-6-2-4-9(12)10-8(6)5-7/h1,3,5,11H,2,4H2,(H,10,12)
Names and Synonyms
- 7-Hydroxy-3,4-Dihydro-2(1H)-Quinolinone Systematic Name
- 2(1H)-Quinolinone, 3,4-dihydro-7-hydroxy- Synonym
- Carbostyril, 3,4-dihydro-7-hydroxy- Synonym
- Hydrocarbostyril, 7-hydroxy- Synonym
- 3,4-Dihydro-7-hydroxy-2(1H)-quinolinone Synonym
- 7-Hydroxy-1,2,3,4-tetrahydro-2-quinolinone Synonym
- 7-Hydroxy-3,4-dihydrocarbostyril Synonym
- 7-Hydroxy-3,4-dihydro-2(1H)-quinolinone Synonym
- 7-Hydroxy-3,4-dihydro-1H-quinolin-2-one Synonym
- 3,4-Dihydro-7-hydroxy-2(1 H)-quinoline Synonym
- 3,4-Dihydro-quinoline-2,7-diol Synonym
- 3,4-Dihydroquinoline-2,7-diol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 163.18 g/mol | CAS Common Chemistry |
| 163.17599999999993 g/mol | RDKit | |
| 163.176 g/mol | RDKit | |
| Canonical SMILES | O=C1NC2=CC(O)=CC=C2CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H9NO2/c11-7-3-1-6-2-4-9(12)10-8(6)5-7/h1,3,5,11H,2,4H2,(H,10,12) | CAS Common Chemistry |
| InChI Key | InChIKey=LKLSFDWYIBUGNT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 230 °C | CAS Common Chemistry |
| Name | 7-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 | 52.82000000000001 Ų | RDKit |
| 52.82 Ų | RDKit | |
| LogP | 1.9264 | RDKit |
| Molar Refractivity | 46.15160000000002 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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1
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200 ppm
180
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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 = 163.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H9NO2.
