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Molecule
N-Methylacridone
CAS: 719-54-0 · C14H11NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 719-54-0
- Molecular Formula
- C14H11NO
- Molecular Mass
- 209.25 g/mol
Identifiers
CAS Registry Number
719-54-0
SMILES
Cn1c2ccccc2c(=O)c2ccccc21
InChI Key
XUVKSPPGPPFPQN-UHFFFAOYSA-N
InChI
InChI=1S/C14H11NO/c1-15-12-8-4-2-6-10(12)14(16)11-7-3-5-9-13(11)15/h2-9H,1H3
Names and Synonyms
- N-Methylacridone Common Name
- 10-Methyl-9-acridanone Synonym
- 10-Methylacridin-9-one Synonym
- N-Methyl-9-acridone Synonym
- 10-Methyl-9(10H)-acridone Synonym
- 10-Methylacridone Synonym
- 10-Methyl-9-acridone Synonym
- NSC 1189 Synonym
- NSC 54142 Synonym
- 9,10-Dihydro-9-methyl-10-acridinone Synonym
- 10-Methyl-10H-acridin-9-one Synonym
- 9(10H)-Acridinone, 10-methyl- Synonym
- 9-Acridanone, 10-methyl- Synonym
- 10-Methyl-9(10H)-acridinone Synonym
- N-Methylacridone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 209.25 g/mol | CAS Common Chemistry |
| 209.248 g/mol | RDKit | |
| Canonical SMILES | O=C1C=2C=CC=CC2N(C=3C=CC=CC13)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H11NO/c1-15-12-8-4-2-6-10(12)14(16)11-7-3-5-9-13(11)15/h2-9H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XUVKSPPGPPFPQN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 155-170 °C | CAS Common Chemistry |
| Name | N-Methylacridone | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| 1 | RDKit | |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 22.0 Ų | RDKit |
| LogP | 2.691700000000001 | RDKit |
| 2.6917 | RDKit | |
| Molar Refractivity | 66.69500000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0714 | RDKit |
| 0.07 | chempirical lib | |
| Exact Mass | 209.084063972 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
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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 = 209.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H11NO.
