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Molecule
(+)-(S)-2-(Methoxymethyl)Pyrrolidine
CAS: 63126-47-6 · C6H13NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 63126-47-6
- Molecular Formula
- C6H13NO
- Molecular Mass
- 115.18 g/mol
Identifiers
CAS Registry Number
63126-47-6
SMILES
COC[C@@H]1CCCN1
InChI Key
CHPRFKYDQRKRRK-LURJTMIESA-N
InChI
InChI=1S/C6H13NO/c1-8-5-6-3-2-4-7-6/h6-7H,2-5H2,1H3/t6-/m0/s1
Names and Synonyms
- (+)-(S)-2-(Methoxymethyl)Pyrrolidine Common Name
- Pyrrolidine, 2-(methoxymethyl)-, (2S)- Synonym
- Pyrrolidine, 2-(methoxymethyl)-, (S)- Synonym
- (2S)-2-(Methoxymethyl)pyrrolidine Synonym
- (S)-2-(Methoxymethyl)pyrrolidine Synonym
- (S)-Prolinol methyl ether Synonym
- (+)-(S)-2-(Methoxymethyl)pyrrolidine Synonym
- (2S)-(Methoxymethyl)pyrrolidine Synonym
- L-Prolinol methyl ether Synonym
- (S)-(+)-2-Methoxymethylpyrrolidine Synonym
- (2S)-2-Methoxymethylpyrrolidine Synonym
- NSC 305701 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 115.18 g/mol | CAS Common Chemistry |
| 115.17600000000002 g/mol | RDKit | |
| 115.176 g/mol | RDKit | |
| Canonical SMILES | O(C)CC1NCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H13NO/c1-8-5-6-3-2-4-7-6/h6-7H,2-5H2,1H3/t6-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=CHPRFKYDQRKRRK-LURJTMIESA-N | CAS Common Chemistry |
| Name | (+)-(S)-2-(Methoxymethyl)pyrrolidine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 21.259999999999998 Ų | RDKit |
| 21.26 Ų | RDKit | |
| LogP | 0.3848000000000001 | RDKit |
| 0.3848 | RDKit | |
| Molar Refractivity | 32.90069999999998 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 115.099714036 g/mol | RDKit |
| Boiling Point | 62 °C @ 40 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| 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 = 115.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H13NO.
