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Molecule
(2S)-1-Methyl-2-Pyrrolidinemethanol
CAS: 34381-71-0 · C6H13NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 34381-71-0
- Molecular Formula
- C6H13NO
- Molecular Mass
- 115.18 g/mol
Identifiers
CAS Registry Number
34381-71-0
SMILES
CN1CCC[C@H]1CO
InChI Key
VCOJPHPOVDIRJK-LURJTMIESA-N
InChI
InChI=1S/C6H13NO/c1-7-4-2-3-6(7)5-8/h6,8H,2-5H2,1H3/t6-/m0/s1
Names and Synonyms
- (2S)-1-Methyl-2-Pyrrolidinemethanol Synonym
- 2-Pyrrolidinemethanol, 1-methyl-, (2S)- Synonym
- 2-Pyrrolidinemethanol, 1-methyl-, (S)- Synonym
- (2S)-1-Methyl-2-pyrrolidinemethanol Synonym
- L-(-)-N-Methyl-2-pyrrolidinylmethanol Synonym
- L-N-Methylprolinol Synonym
- (S)-(-)-1-Methylpyrrolidine-2-methanol Synonym
- (S)-1-Methyl-2-pyrrolidinemethanol Synonym
- (S)-N-Methylpyrrolidine-2-methanol Synonym
- (S)-2-(Hydroxymethyl)-1-methylpyrrolidine Synonym
- (2S)-1-Methylpyrrolidin-2-ylmethanol Synonym
- N-Methyl-L-prolinol Synonym
- (-)-(S)-1-Methyl-2-pyrrolidinemethanol Synonym
- (S)-(-)-2-Hydroxymethyl-1-methylpyrrolidine Synonym
- (S)-(-)-(1-Methyl-2-pyrrolidinyl)methanol Synonym
- (2S)-(Hydroxymethyl)-1-methylpyrrolidine Synonym
- (S)-1-Methylpyrrolidin-2-ylmethanol Synonym
- (2S)-1-Methylpyrrolidine-2-methanol Synonym
- ((2S)-1-Methylpyrrolidin-2-yl)methanol Synonym
- 2-Pyrrolidinemethanol 1-methyl-, (2S)- Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 115.18 g/mol | CAS Common Chemistry |
| 115.17599999999999 g/mol | RDKit | |
| 115.176 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.9743 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | OCC1N(C)CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H13NO/c1-7-4-2-3-6(7)5-8/h6,8H,2-5H2,1H3/t6-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=VCOJPHPOVDIRJK-LURJTMIESA-N | CAS Common Chemistry |
| Name | (2S)-1-Methyl-2-pyrrolidinemethanol | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.47 Ų | RDKit |
| 23.24 Ų | chempirical lib | |
| LogP | 0.0728999999999998 | RDKit |
| 0.0729 | RDKit | |
| Molar Refractivity | 32.737799999999986 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 | 64-66 °C @ 11 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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| 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; density = 0.970 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H13NO.
