About 3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide
3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide (PubChem CID 166035351) has the molecular formula C12H24N2O
and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide.
Molecular Properties
| Compound Name | 3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide |
| PubChem CID | 166035351 |
| Molecular Formula | C12H24N2O |
| Molecular Weight | 212.34 g/mol |
| Exact Mass | 212.19 |
| IUPAC Name | 3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide |
| SMILES | CCCNC(=O)CCN1CCC[C@H]1CC |
| InChI | InChI=1S/C12H24N2O/c1-3-8-13-12(15)7-10-14-9-5-6-11(14)4-2/h11H,3-10H2,1-2H3,(H,13,15)/t11-/m1/s1 |
| InChIKey | MIKLAUPCXAXAKY-LLVKDONJSA-N |
| XLogP | 1.78 |
| TPSA | 32.34 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 212.34 |
| LogP ≤ 5 | 1.78 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide?
The IUPAC name of 3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide (CID 166035351) is 3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide.
What is the SMILES notation for 3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide?
The canonical SMILES for 3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide is CCCNC(=O)CCN1CCC[C@H]1CC.
What is the InChIKey of 3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide?
The InChIKey is MIKLAUPCXAXAKY-LLVKDONJSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-8-13-12(15)7-10-14-9-5-6-11(14)4-2/h11H,3-10H2,1-2H3,(H,13,15)/t11-/m1/s1.
What are the key properties of 3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide?
3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide has a molecular weight of 212.34 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide is sourced from PubChem (CID 166035351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).