Back to Search
Molecule
3-Methyl-2-Oxazolidinone
CAS: 19836-78-3 · C4H7NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 19836-78-3
- Molecular Formula
- C4H7NO2
- Molecular Mass
- 101.10 g/mol
Identifiers
CAS Registry Number
19836-78-3
SMILES
CN1CCOC1=O
InChI Key
VWIIJDNADIEEDB-UHFFFAOYSA-N
InChI
InChI=1S/C4H7NO2/c1-5-2-3-7-4(5)6/h2-3H2,1H3
Names and Synonyms
- 3-Methyl-2-Oxazolidinone Systematic Name
- 2-Oxazolidinone, 3-methyl- Synonym
- 3-Methyl-2-oxazolidinone Synonym
- N-Methyl-2-oxazolidinone Synonym
- N-Methyl-2-oxazolidone Synonym
- 3-Methyl-1,3-oxazolidin-2-one Synonym
- 3-Methyl-1,3-oxazolidine-2-one Synonym
- 3-Methyloxazolidinone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 101.10 g/mol | CAS Common Chemistry |
| 101.10499999999999 g/mol | RDKit | |
| 101.105 g/mol | RDKit | |
| Density | 1.17 g/cm³ | CAS Common Chemistry |
| 1.1683 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C1OCCN1C | CAS Common Chemistry |
| InChI | InChI=1S/C4H7NO2/c1-5-2-3-7-4(5)6/h2-3H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VWIIJDNADIEEDB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 29.03 °C | CAS Common Chemistry |
| Name | 3-Methyl-2-oxazolidinone | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.54 Ų | RDKit |
| 29.31 Ų | chempirical lib | |
| LogP | 0.06840000000000002 | RDKit |
| 0.0684 | RDKit | |
| Molar Refractivity | 23.977999999999987 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 101.047678464 g/mol | RDKit |
| Boiling Point | 180 °C @ 1.5 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 = 101.10 g/mol; density = 1.170 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H7NO2.
