Back to Search
(2R)-2-Methylpyrrolidine
CAS: 41720-98-3 | C5H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
41720-98-3
Molecular Formula:
C5H11N
Molecular Weight:
85.15 g/mol
Names and Synonyms:
(2R)-2-Methylpyrrolidine
(R)-(-)-2-Methylpyrrolidine
(R)-2-Methylpyrrolidine
2-(R)-Methylpyrrolidine
(R)-(-)-2-Methylpyrrolidine
L-2-Methylpyrrolidine
(2R)-2-Methylpyrrolidine
Pyrrolidine, 2-methyl-, (R)-
Pyrrolidine, 2-methyl-, (2R)-
Identifiers:
SMILES:
C[C@@H]1CCCN1
InChI:
InChI=1S/C5H11N/c1-5-3-2-4-6-5/h5-6H,2-4H2,1H3/t5-/m1/s1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 85.15 g/mol | Legacy Database |
| cas-boiling-point | 94 °C @ Press: 728 Torr | Legacy Database | |
| cas-canonical-smile | N1CCCC1C | Legacy Database | |
| cas-inchi | InChI=1S/C5H11N/c1-5-3-2-4-6-5/h5-6H,2-4H2,1H3/t5-/m1/s1 | Legacy Database | |
| cas-inchi-key | InChIKey=RGHPCLZJAFCTIK-RXMQYKEDSA-N | Legacy Database | |
| cas-name | (2R)-2-Methylpyrrolidine | Legacy Database | |
| LogP | 0.7583 | RDKit | |
| Molecular | Molecular Weight | 85.15 g/mol | RDKit |
| Exact | Exact Molecular Weight | 85.08914935199999 g/mol | RDKit |
| Heavy | Heavy Atom Count | 6 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 12.03 Ų | RDKit |
| Molar | Molar Refractivity | 26.698699999999988 | RDKit |
