Back to Search
Molecule
L-Prolinol
CAS: 23356-96-9 · C5H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 23356-96-9
- Molecular Formula
- C5H11NO
- Molecular Mass
- 101.15 g/mol
Identifiers
CAS Registry Number
23356-96-9
SMILES
OC[C@@H]1CCCN1
InChI Key
HVVNJUAVDAZWCB-YFKPBYRVSA-N
InChI
InChI=1S/C5H11NO/c7-4-5-2-1-3-6-5/h5-7H,1-4H2/t5-/m0/s1
Names and Synonyms
- L-Prolinol Common Name
- 2-Pyrrolidinemethanol, (2S)- Synonym
- 2-Pyrrolidinemethanol, (S)-(+)- Synonym
- 2-Pyrrolidinemethanol, (S)- Synonym
- (2S)-2-Pyrrolidinemethanol Synonym
- L-(+)-2-Pyrrolidinylmethanol Synonym
- L-2-(Hydroxymethyl)pyrrolidine Synonym
- L-Prolinol Synonym
- (S)-(+)-Prolinol Synonym
- (S)-(+)-2-(Hydroxymethyl)pyrrolidine Synonym
- (S)-Prolinol Synonym
- (+)-2-Pyrrolidinemethanol Synonym
- (2S)-2-(Hydroxymethyl)pyrrolidine Synonym
- (S)-2-Pyrrolidinemethanol Synonym
- (S)-(+)-2-Pyrrolidinemethanol Synonym
- (S)-(+)-Pyrrolidin-2-ylmethanol Synonym
- (S)-2-(Hydroxymethyl)pyrrolidine Synonym
- L-(+)-Prolinol Synonym
- (S)-1-(Pyrrolidin-2-yl)methanol Synonym
- 2-(S)-(Hydroxymethyl)pyrrolidine Synonym
- [(S)-Pyrrolidin-2-yl]methanol Synonym
- [(2S)-Pyrrolidin-2-yl]methanol Synonym
- (2S)-Pyrrolidin-2-ylmethanol Synonym
- (2S)-2-Pyrrolidinemethanol Synonym
- (2S)-2-(Hydroxymethyl)pyrrolidine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 101.15 g/mol | CAS Common Chemistry |
| 101.14900000000002 g/mol | RDKit | |
| 101.149 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.025 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | OCC1NCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H11NO/c7-4-5-2-1-3-6-5/h5-7H,1-4H2/t5-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=HVVNJUAVDAZWCB-YFKPBYRVSA-N | CAS Common Chemistry |
| Melting Point | 73-76 °C @ Solvent: Ethyl acetate, Hexane | CAS Common Chemistry |
| Name | L-Prolinol | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.26 Ų | RDKit |
| LogP | -0.26930000000000004 | RDKit |
| -0.2693 | RDKit | |
| Molar Refractivity | 28.11049999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 101.084063972 g/mol | RDKit |
| Boiling Point | 100-105 °C @ 9 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 101.15 g/mol; density = 1.030 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H11NO.
