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Molecule
2-Quinolone
CAS: 59-31-4 · C9H7NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 59-31-4
- Molecular Formula
- C9H7NO
- Molecular Mass
- 145.16 g/mol
Identifiers
CAS Registry Number
59-31-4
SMILES
Oc1ccc2ccccc2n1
InChI Key
LISFMEBWQUVKPJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)
Names and Synonyms
- 2-Quinolone Synonym
- 2(1H)-Quinolinone Synonym
- Carbostyril Synonym
- 2-Quinolinol Synonym
- α-Hydroxyquinoline Synonym
- 2-Hydroxyquinoline Synonym
- o-Aminocinnamic acid lactam Synonym
- 2(1H)-Quinolone Synonym
- α-Quinolone Synonym
- 2-Quinolone Synonym
- 2-Quinolinone Synonym
- 2-Oxo-1,2-dihydroquinoline Synonym
- 1,2-Dihydro-2-oxoquinoline Synonym
- 1H-Quinolin-2-one Synonym
- NSC 156783 Synonym
- NSC 554 Synonym
- NSC 97217 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 145.16 g/mol | CAS Common Chemistry |
| 145.16099999999997 g/mol | RDKit | |
| 145.161 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Quinolone | CAS Common Chemistry |
| Canonical SMILES | O=C1C=CC=2C=CC=CC2N1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=LISFMEBWQUVKPJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 199.5 °C | CAS Common Chemistry |
| Name | 2-Hydroxyquinoline | CAS Common Chemistry |
| 2-Quinolone | CAS Common Chemistry | |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 33.120000000000005 Ų | RDKit |
| 33.12 Ų | RDKit | |
| 32.59 Ų | chempirical lib | |
| LogP | 1.9403999999999995 | RDKit |
| 1.9404 | RDKit | |
| Molar Refractivity | 43.407800000000016 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 145.052763844 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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 = 145.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H7NO.
