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Molecule
Prolinol
CAS: 498-63-5 · C5H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 498-63-5
- Molecular Formula
- C5H11NO
- Molecular Mass
- 101.15 g/mol
Identifiers
CAS Registry Number
498-63-5
SMILES
OCC1CCCN1
InChI Key
HVVNJUAVDAZWCB-UHFFFAOYSA-N
InChI
InChI=1S/C5H11NO/c7-4-5-2-1-3-6-5/h5-7H,1-4H2
Names and Synonyms
- Prolinol Common Name
- 2-Pyrrolidinemethanol Synonym
- Prolinol Synonym
- 2-Hydroxymethylpyrrolidine Synonym
- DL-Prolinol Synonym
- NSC 367102 Synonym
- Pyrrolidin-2-ylmethanol 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 | |
| Canonical SMILES | OCC1NCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H11NO/c7-4-5-2-1-3-6-5/h5-7H,1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HVVNJUAVDAZWCB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 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 | 148-153 °C @ 12 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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
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MW = 101.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H11NO.
