About (R)-methoxy-[(3R)-1-methylpyrrolidin-3-yl]methanol
(R)-methoxy-[(3R)-1-methylpyrrolidin-3-yl]methanol (PubChem CID 140507743) has the molecular formula C7H15NO2
and a molecular weight of 145.20 g/mol. Its IUPAC name is (R)-methoxy-[(3R)-1-methylpyrrolidin-3-yl]methanol.
Molecular Properties
| Compound Name | (R)-methoxy-[(3R)-1-methylpyrrolidin-3-yl]methanol |
| PubChem CID | 140507743 |
| Molecular Formula | C7H15NO2 |
| Molecular Weight | 145.20 g/mol |
| Exact Mass | 145.11 |
| IUPAC Name | (R)-methoxy-[(3R)-1-methylpyrrolidin-3-yl]methanol |
| SMILES | CO[C@@H](O)[C@@H]1CCN(C)C1 |
| InChI | InChI=1S/C7H15NO2/c1-8-4-3-6(5-8)7(9)10-2/h6-7,9H,3-5H2,1-2H3/t6-,7-/m1/s1 |
| InChIKey | PGXXKXZRANUDMC-RNFRBKRXSA-N |
| XLogP | -0.10 |
| TPSA | 32.70 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 10 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 145.20 |
| LogP ≤ 5 | -0.10 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (R)-methoxy-[(3R)-1-methylpyrrolidin-3-yl]methanol?
The IUPAC name of (R)-methoxy-[(3R)-1-methylpyrrolidin-3-yl]methanol (CID 140507743) is (R)-methoxy-[(3R)-1-methylpyrrolidin-3-yl]methanol.
What is the SMILES notation for (R)-methoxy-[(3R)-1-methylpyrrolidin-3-yl]methanol?
The canonical SMILES for (R)-methoxy-[(3R)-1-methylpyrrolidin-3-yl]methanol is CO[C@@H](O)[C@@H]1CCN(C)C1.
What is the InChIKey of (R)-methoxy-[(3R)-1-methylpyrrolidin-3-yl]methanol?
The InChIKey is PGXXKXZRANUDMC-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H15NO2/c1-8-4-3-6(5-8)7(9)10-2/h6-7,9H,3-5H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of (R)-methoxy-[(3R)-1-methylpyrrolidin-3-yl]methanol?
(R)-methoxy-[(3R)-1-methylpyrrolidin-3-yl]methanol has a molecular weight of 145.20 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-methoxy-[(3R)-1-methylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 140507743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).