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Molecule
(2R)-2-Methylpyrrolidine
CAS: 41720-98-3 · C5H11N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 41720-98-3
- Molecular Formula
- C5H11N
- Molecular Mass
- 85.15 g/mol
Identifiers
CAS Registry Number
41720-98-3
SMILES
C[C@@H]1CCCN1
InChI Key
RGHPCLZJAFCTIK-RXMQYKEDSA-N
InChI
InChI=1S/C5H11N/c1-5-3-2-4-6-5/h5-6H,2-4H2,1H3/t5-/m1/s1
Names and Synonyms
- (2R)-2-Methylpyrrolidine Common Name
- Pyrrolidine, 2-methyl-, (2R)- Synonym
- Pyrrolidine, 2-methyl-, (R)- Synonym
- (2R)-2-Methylpyrrolidine Synonym
- L-2-Methylpyrrolidine Synonym
- (R)-(-)-2-Methylpyrrolidine Synonym
- 2-(R)-Methylpyrrolidine Synonym
- (R)-2-Methylpyrrolidine Synonym
- (R)-(-)-2-Methylpyrrolidine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 85.15 g/mol | CAS Common Chemistry |
| Canonical SMILES | N1CCCC1C | CAS Common Chemistry |
| InChI | InChI=1S/C5H11N/c1-5-3-2-4-6-5/h5-6H,2-4H2,1H3/t5-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=RGHPCLZJAFCTIK-RXMQYKEDSA-N | CAS Common Chemistry |
| Name | (2R)-2-Methylpyrrolidine | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 0.7583 | RDKit |
| Molar Refractivity | 26.698699999999988 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 85.08914935199999 g/mol | RDKit |
| Boiling Point | 94 °C @ 728 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 85.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H11N.
