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Prolinol
CAS: 68832-13-3 | C5H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
68832-13-3
Molecular Formula:
C5H11NO
Molecular Weight:
101.14900000000002 g/mol
Names and Synonyms:
Prolinol
(2R)-2-Pyrrolidinemethanol
(R)-(-)-Prolinol
(R)-1-Pyrrolidin-2-ylmethanol
(R)-Pyrrolidin-2-methanol
(R)-1-(Pyrrolidin-2-yl)methanol
(2R)-Pyrrolidin-2-ylmethanol
(2-(D)-Pyrrolidinyl)methanol
(2R)-2-Hydroxymethylpyrrolidine
(R)-2-(Hydroxymethyl)pyrrolidine
(R)-(-)-2-(Hydroxymethyl)pyrrolidine
(R)-2-Pyrrolidinemethanol
(R)-(-)-Pyrrolidine-2-methanol
(R)-Pyrrolidin-2-ylmethanol
D-Prolinol
(-)-2-Pyrrolidinemethanol
(R)-Prolinol
(2R)-2-Pyrrolidinemethanol
2-Pyrrolidinemethanol, (R)-
2-Pyrrolidinemethanol, (2R)-
Identifiers:
SMILES:
OC[C@H]1CCCN1
InChI:
InChI=1S/C5H11NO/c7-4-5-2-1-3-6-5/h5-7H,1-4H2/t5-/m1/s1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 101.15 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Prolinol None | Legacy Database |
| cas-canonical-smile | OCC1NCCC1 None | Legacy Database |
| cas-inchi | InChI=1S/C5H11NO/c7-4-5-2-1-3-6-5/h5-7H,1-4H2/t5-/m1/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=HVVNJUAVDAZWCB-RXMQYKEDSA-N None | Legacy Database |
| cas-name | (-)-2-Pyrrolidinemethanol None | Legacy Database |
| wikipedia-name | Prolinol None | Legacy Database |
| LogP | -0.26930000000000004 | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 32.26 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 28.11049999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 101.14900000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 101.084063972 g/mol | RDKit |
