Back to Search
Molecule
Fenspiride
CAS: 5053-06-5 · C15H20N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 5053-06-5
- Molecular Formula
- C15H20N2O2
- Molecular Mass
- 260.34 g/mol
Identifiers
CAS Registry Number
5053-06-5
SMILES
OC1=NCC2(CCN(CCc3ccccc3)CC2)O1
InChI Key
FVNFBBAOMBJTST-UHFFFAOYSA-N
InChI
InChI=1S/C15H20N2O2/c18-14-16-12-15(19-14)7-10-17(11-8-15)9-6-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,18)
Names and Synonyms
- Fenspiride Synonym
- 1-Oxa-3,8-diazaspiro[4.5]decan-2-one, 8-(2-phenylethyl)- Synonym
- 1-Oxa-3,8-diazaspiro[4.5]decan-2-one, 8-phenethyl- Synonym
- 8-(2-Phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one Synonym
- Fenspiride Synonym
- Respiride Synonym
- DESP Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 260.34 g/mol | CAS Common Chemistry |
| 260.337 g/mol | RDKit | |
| Canonical SMILES | O=C1OC2(CN1)CCN(CCC=3C=CC=CC3)CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C15H20N2O2/c18-14-16-12-15(19-14)7-10-17(11-8-15)9-6-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,18) | CAS Common Chemistry |
| InChI Key | InChIKey=FVNFBBAOMBJTST-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Fenspiride | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 45.06 Ų | RDKit |
| 44.83 Ų | chempirical lib | |
| LogP | 2.0079 | RDKit |
| Molar Refractivity | 74.56680000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5333 | RDKit |
| 0.53 | chempirical lib | |
| Exact Mass | 260.15247788 g/mol | RDKit |
| Boiling Point | 126-127 °C @ 2 Torr | CAS Common Chemistry |
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 = 260.34 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H20N2O2.
