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Molecule
(R)-3-Quinuclidinol
CAS: 25333-42-0 · C7H13NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 25333-42-0
- Molecular Formula
- C7H13NO
- Molecular Mass
- 127.19 g/mol
Identifiers
CAS Registry Number
25333-42-0
SMILES
O[C@H]1CN2CCC1CC2
InChI Key
IVLICPVPXWEGCA-ZETCQYMHSA-N
InChI
InChI=1S/C7H13NO/c9-7-5-8-3-1-6(7)2-4-8/h6-7,9H,1-5H2/t7-/m0/s1
Names and Synonyms
- (R)-3-Quinuclidinol Synonym
- 1-Azabicyclo[2.2.2]octan-3-ol, (3R)- Synonym
- 3-Quinuclidinol, (-)- Synonym
- 1-Azabicyclo[2.2.2]octan-3-ol, (R)- Synonym
- (3R)-1-Azabicyclo[2.2.2]octan-3-ol Synonym
- l-3-Quinuclidinol Synonym
- (R)-(-)-3-Quinuclidinol Synonym
- (R)-3-Quinuclidinol Synonym
- (R)-1-Azabicyclo[2.2.2]octan-3-ol Synonym
- (-)-3-Quinuclidinol Synonym
- (3R)-Quinuclidin-3-ol Synonym
- (3R)-3-Quinuclidinol Synonym
- (R)-3-Hydroxyquinuclidine Synonym
- (R)-3-Quinuclidol Synonym
- (R)-(-)-1-Azabicyclo[2.2.2]octan-3-ol Synonym
- R-Quinuclidin-3-ol Synonym
- (-)-(R)-3-Quinuclidinol Synonym
- (3R)-Quinuclidinol Synonym
- (3R)-1-Azabicyclo[2.2.2]octan-3-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 127.19 g/mol | CAS Common Chemistry |
| 127.187 g/mol | RDKit | |
| Canonical SMILES | OC1CN2CCC1CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C7H13NO/c9-7-5-8-3-1-6(7)2-4-8/h6-7,9H,1-5H2/t7-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=IVLICPVPXWEGCA-ZETCQYMHSA-N | CAS Common Chemistry |
| Melting Point | 219 °C | CAS Common Chemistry |
| Name | (R)-3-Quinuclidinol | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.47 Ų | RDKit |
| 23.24 Ų | chempirical lib | |
| LogP | 0.07289999999999996 | RDKit |
| 0.0729 | RDKit | |
| Molar Refractivity | 35.17079999999999 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 127.099714036 g/mol | RDKit |
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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140
120
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20
0 ppm
| 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.
External Resources
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MW = 127.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H13NO.
