Back to Search
Molecule
Naphthalimide
CAS: 81-83-4 · C12H7NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 81-83-4
- Molecular Formula
- C12H7NO2
- Molecular Mass
- 197.19 g/mol
Identifiers
CAS Registry Number
81-83-4
SMILES
O=C1N=C(O)c2cccc3cccc1c23
InChI Key
XJHABGPPCLHLLV-UHFFFAOYSA-N
InChI
InChI=1S/C12H7NO2/c14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(15)13-11/h1-6H,(H,13,14,15)
Names and Synonyms
- Naphthalimide Synonym
- 1H-Benz[de]isoquinoline-1,3(2H)-dione Synonym
- Naphthalimide Synonym
- 1,8-Naphthalenedicarboximide Synonym
- 1,8-Naphthalenedicarboxylic acid imide Synonym
- 1,8-Naphthalimide Synonym
- NSC 11011 Synonym
- 1,8-Naphthaleneimide Synonym
- Benzo[de]isoquinoline-1,3-dione Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 197.19 g/mol | CAS Common Chemistry |
| 197.19299999999996 g/mol | RDKit | |
| 197.193 g/mol | RDKit | |
| Canonical SMILES | O=C1NC(=O)C2=CC=CC3=CC=CC1=C32 | CAS Common Chemistry |
| InChI | InChI=1S/C12H7NO2/c14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(15)13-11/h1-6H,(H,13,14,15) | CAS Common Chemistry |
| InChI Key | InChIKey=XJHABGPPCLHLLV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 287 °C | CAS Common Chemistry |
| Name | Naphthalimide | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 49.66 Ų | RDKit |
| LogP | 2.2982000000000005 | RDKit |
| 2.2982 | RDKit | |
| Molar Refractivity | 57.44430000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 197.047678464 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
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
Convert
Quick conversion
MW = 197.19 g/mol. Edit any field — others recompute live.
