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Molecule
2-Methylpyrrolidine
CAS: 765-38-8 · C5H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 765-38-8
- Molecular Formula
- C5H11N
- Molecular Mass
- 85.15 g/mol
Identifiers
CAS Registry Number
765-38-8
SMILES
CC1CCCN1
InChI Key
RGHPCLZJAFCTIK-UHFFFAOYSA-N
InChI
InChI=1S/C5H11N/c1-5-3-2-4-6-5/h5-6H,2-4H2,1H3
Names and Synonyms
- 2-Methylpyrrolidine Synonym
- Pyrrolidine, 2-methyl- Synonym
- Pyrrolidine, 2-methyl-, (±)- Synonym
- 2-Methylpyrrolidine Synonym
- α-Methylpyrrolidine Synonym
- (±)-2-Methylpyrrolidine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 85.15 g/mol | CAS Common Chemistry |
| Density | 0.83 g/cm³ | CAS Common Chemistry |
| 0.8307 g/cm3 @ 20 °C | 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 | CAS Common Chemistry |
| InChI Key | InChIKey=RGHPCLZJAFCTIK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 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 | 100 °C @ 768 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
External Resources
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MW = 85.15 g/mol; density = 0.830 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H11N.
