Back to Search
Molecule
3-Phthalimidopropionaldehyde
CAS: 2436-29-5 · C11H9NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2436-29-5
- Molecular Formula
- C11H9NO3
- Molecular Mass
- 203.20 g/mol
Identifiers
CAS Registry Number
2436-29-5
SMILES
O=CCCN1C(=O)c2ccccc2C1=O
InChI Key
IBSDSIHTMABATG-UHFFFAOYSA-N
InChI
InChI=1S/C11H9NO3/c13-7-3-6-12-10(14)8-4-1-2-5-9(8)11(12)15/h1-2,4-5,7H,3,6H2
Names and Synonyms
- 3-Phthalimidopropionaldehyde Synonym
- 2H-Isoindole-2-propanal, 1,3-dihydro-1,3-dioxo- Synonym
- Phthalimide, N-(2-formylethyl)- Synonym
- 1,3-Dihydro-1,3-dioxo-2H-isoindole-2-propanal Synonym
- β-Phthalimidopropionaldehyde Synonym
- 3-Phthalimidopropionaldehyde Synonym
- N-(2-Formylethyl)phthalimide Synonym
- 3-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)propionaldehyde Synonym
- NSC 166600 Synonym
- 3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propionaldehyde Synonym
- 2-(3-Oxopropyl)isoindole-1,3-dione Synonym
- 3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propanal Synonym
- N-(3-Oxopropyl)phthalimide Synonym
- 3-Phthalimidopropanal Synonym
- 3-(1,3-Dioxoisoindolin-2-yl)propanal Synonym
- 3-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)propanal Synonym
- 3-(1,3-Dioxoisoindol-2-yl)propanal Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 203.20 g/mol | CAS Common Chemistry |
| 203.19699999999997 g/mol | RDKit | |
| 203.197 g/mol | RDKit | |
| Canonical SMILES | O=CCCN1C(=O)C=2C=CC=CC2C1=O | CAS Common Chemistry |
| InChI | InChI=1S/C11H9NO3/c13-7-3-6-12-10(14)8-4-1-2-5-9(8)11(12)15/h1-2,4-5,7H,3,6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=IBSDSIHTMABATG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 119-120 °C | CAS Common Chemistry |
| Name | 3-Phthalimidopropionaldehyde | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 54.45 Ų | RDKit |
| 54.22 Ų | chempirical lib | |
| LogP | 0.8716000000000002 | RDKit |
| 0.8716 | RDKit | |
| 0.84 | chempirical lib | |
| Molar Refractivity | 52.49000000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1818 | RDKit |
| 0.18 | chempirical lib | |
| Exact Mass | 203.058243148 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 = 203.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H9NO3.
4-Methoxy-2-Quinolinecarboxylic Acid
CAS 15733-83-2
2-[(2S)-2-Oxiranylmethyl]-1H-Isoindole-1,3(2H)-Dione
CAS 161596-47-0
N-(2-Methoxyphenyl)Maleimide
CAS 17392-68-6
4-Isoxazolecarboxylic acid, 5-methyl-3-phenyl-
CAS 1136-45-4
4-Quinolinecarboxylic acid, 3-hydroxy-2-methyl-
CAS 117-57-7
Indole-3-Pyruvic Acid
CAS 392-12-1
