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Molecule
1-Methyl-2(1H)-Quinolinone
CAS: 606-43-9 · C10H9NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 606-43-9
- Molecular Formula
- C10H9NO
- Molecular Mass
- 159.19 g/mol
Identifiers
CAS Registry Number
606-43-9
SMILES
Cn1c(=O)ccc2ccccc21
InChI Key
QYEMNJMSULGQRD-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3
Names and Synonyms
- 1-Methyl-2(1H)-Quinolinone Synonym
- 2(1H)-Quinolinone, 1-methyl- Synonym
- Carbostyril, 1-methyl- Synonym
- 1-Methyl-2(1H)-quinolinone Synonym
- N-Methylcarbostyril Synonym
- 1-Methyl-2(1H)-quinolone Synonym
- 1-Methylcarbostyril Synonym
- N-Methyl-2-quinolone Synonym
- 1-Methyl-1,2-dihydroquinolin-2-one Synonym
- NSC 5873 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 159.19 g/mol | CAS Common Chemistry |
| 159.188 g/mol | RDKit | |
| Boiling Point | 325 °C | CAS Common Chemistry |
| Canonical SMILES | O=C1C=CC=2C=CC=CC2N1C | CAS Common Chemistry |
| InChI | InChI=1S/C10H9NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QYEMNJMSULGQRD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 74 °C | CAS Common Chemistry |
| Name | 1-Methyl-2(1H)-quinolinone | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| 1 | RDKit | |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 22.0 Ų | RDKit |
| LogP | 1.5385 | RDKit |
| Molar Refractivity | 49.18900000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1 | RDKit |
| Exact Mass | 159.068413908 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| 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 = 159.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H9NO.
