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Molecule
2-Oxazolidone
CAS: 497-25-6 · C3H5NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 497-25-6
- Molecular Formula
- C3H5NO2
- Molecular Mass
- 87.08 g/mol
Identifiers
CAS Registry Number
497-25-6
SMILES
OC1=NCCO1
InChI Key
IZXIZTKNFFYFOF-UHFFFAOYSA-N
InChI
InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)
Names and Synonyms
- 2-Oxazolidone Systematic Name
- 2-Oxazolidinone Synonym
- Carbamic acid, (2-hydroxyethyl)-, γ-lactone Synonym
- 2-Oxazolidone Synonym
- 1,3-Oxazolidin-2-one Synonym
- 2-Oxotetrahydro-1,3-oxazole Synonym
- NSC 35382 Synonym
- NSC 38240 Synonym
- 2-Oxo-1,3-oxazolidine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 87.08 g/mol | CAS Common Chemistry |
| 87.078 g/mol | RDKit | |
| Density | 1.50 g/cm³ | CAS Common Chemistry |
| 1.50 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Oxazolidone | CAS Common Chemistry |
| Canonical SMILES | O=C1OCCN1 | CAS Common Chemistry |
| InChI | InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5) | CAS Common Chemistry |
| InChI Key | InChIKey=IZXIZTKNFFYFOF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 87-89 °C @ Solvent: Chloroform | CAS Common Chemistry |
| Name | 2-Oxazolidinone | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 41.82000000000001 Ų | RDKit |
| 41.82 Ų | RDKit | |
| LogP | -0.06940000000000013 | RDKit |
| -0.0694 | RDKit | |
| -0.07 | chempirical lib | |
| Molar Refractivity | 20.882799999999996 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 87.0320284 g/mol | RDKit |
| Boiling Point | 152 °C @ 0.4 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 87.08 g/mol; density = 1.500 g/mL. Edit any field — others recompute live.
