Back to Search
Molecule
(R)-3-Methylmorpholine
CAS: 74572-04-6 · C5H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 74572-04-6
- Molecular Formula
- C5H11NO
- Molecular Mass
- 101.15 g/mol
Identifiers
CAS Registry Number
74572-04-6
SMILES
C[C@@H]1COCCN1
InChI Key
SFWWGMKXCYLZEG-RXMQYKEDSA-N
InChI
InChI=1S/C5H11NO/c1-5-4-7-3-2-6-5/h5-6H,2-4H2,1H3/t5-/m1/s1
Names and Synonyms
- (R)-3-Methylmorpholine Common Name
- Morpholine, 3-methyl-, (3R)- Synonym
- Morpholine, 3-methyl-, (R)- Synonym
- (3R)-3-Methylmorpholine Synonym
- (R)-3-Methylmorpholine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 101.15 g/mol | CAS Common Chemistry |
| 101.149 g/mol | RDKit | |
| Canonical SMILES | O1CCNC(C)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H11NO/c1-5-4-7-3-2-6-5/h5-6H,2-4H2,1H3/t5-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=SFWWGMKXCYLZEG-RXMQYKEDSA-N | CAS Common Chemistry |
| Name | (R)-3-Methylmorpholine | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 21.259999999999998 Ų | RDKit |
| 21.26 Ų | RDKit | |
| LogP | -0.005300000000000027 | RDKit |
| -0.0053 | RDKit | |
| Molar Refractivity | 28.283699999999985 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 101.084063972 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 = 101.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H11NO.
