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Molecule
Vinylphthalimide
CAS: 3485-84-5 · C10H7NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3485-84-5
- Molecular Formula
- C10H7NO2
- Molecular Mass
- 173.17 g/mol
Identifiers
CAS Registry Number
3485-84-5
SMILES
C=CN1C(=O)c2ccccc2C1=O
InChI Key
IGDLZDCWMRPMGL-UHFFFAOYSA-N
InChI
InChI=1S/C10H7NO2/c1-2-11-9(12)7-5-3-4-6-8(7)10(11)13/h2-6H,1H2
Names and Synonyms
- Vinylphthalimide Synonym
- 2-Vinyl-1H-isoindole-1,3(2H)-dione Synonym
- 1H-Isoindole-1,3(2H)-dione, 2-ethenyl- Synonym
- Phthalimide, N-vinyl- Synonym
- 2-Ethenyl-1H-isoindole-1,3(2H)-dione Synonym
- N-Vinylphthalimide Synonym
- Vinylphthalimide Synonym
- NSC 10395 Synonym
- 2-Vinylisoindoline-1,3-dione Synonym
- N-Vinylphthalamide Synonym
- 2-Ethenylisoindole-1,3-dione Synonym
- 2-Ethenyl-2,3-dihydro-1H-isoindole-1,3-dione Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 173.17 g/mol | CAS Common Chemistry |
| 173.17099999999996 g/mol | RDKit | |
| 173.171 g/mol | RDKit | |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)N1C=C | CAS Common Chemistry |
| InChI | InChI=1S/C10H7NO2/c1-2-11-9(12)7-5-3-4-6-8(7)10(11)13/h2-6H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=IGDLZDCWMRPMGL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 86 °C | CAS Common Chemistry |
| Name | Vinylphthalimide | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 37.38 Ų | RDKit |
| 37.15 Ų | chempirical lib | |
| LogP | 1.4261000000000001 | RDKit |
| 1.4261 | RDKit | |
| Molar Refractivity | 47.13900000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 173.047678464 g/mol | RDKit |
| Boiling Point | 115-120 °C @ 0.5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
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 = 173.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H7NO2.
