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Molecule
N-Methylphthalimide
CAS: 550-44-7 · C9H7NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 550-44-7
- Molecular Formula
- C9H7NO2
- Molecular Mass
- 161.16 g/mol
Identifiers
CAS Registry Number
550-44-7
SMILES
CN1C(=O)c2ccccc2C1=O
InChI Key
ZXLYYQUMYFHCLQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5H,1H3
Names and Synonyms
- N-Methylphthalimide Common Name
- 1H-Isoindole-1,3(2H)-dione, 2-methyl- Synonym
- Phthalimide, N-methyl- Synonym
- 2-Methyl-1H-isoindole-1,3(2H)-dione Synonym
- N-Methylphthalimide Synonym
- NSC 44059 Synonym
- 2-Methylisoindole-1,3-dione Synonym
- 2-Methylisoindoline-1,3-dione Synonym
- 2,2′-Bis(N-methylphthalimide) Synonym
- 2-Methyl-2,3-dihydro-1H-isoindole-1,3-dione Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 161.16 g/mol | CAS Common Chemistry |
| 161.15999999999997 g/mol | RDKit | |
| Boiling Point | 286 °C | CAS Common Chemistry |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)N1C | CAS Common Chemistry |
| InChI | InChI=1S/C9H7NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZXLYYQUMYFHCLQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 134 °C | CAS Common Chemistry |
| Name | N-Methylphthalimide | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 37.38 Ų | RDKit |
| 37.15 Ų | chempirical lib | |
| LogP | 0.9124 | RDKit |
| Molar Refractivity | 42.86600000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1111 | RDKit |
| 0.11 | chempirical lib | |
| Exact Mass | 161.047678464 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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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 = 161.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H7NO2.
