About (2,4-dimethylpyrrolidin-1-yl)-(3-fluoroazetidin-1-yl)methanone
(2,4-dimethylpyrrolidin-1-yl)-(3-fluoroazetidin-1-yl)methanone (PubChem CID 170767344) has the molecular formula C10H17FN2O
and a molecular weight of 200.26 g/mol. Its IUPAC name is (2,4-dimethylpyrrolidin-1-yl)-(3-fluoroazetidin-1-yl)methanone.
Molecular Properties
| Compound Name | (2,4-dimethylpyrrolidin-1-yl)-(3-fluoroazetidin-1-yl)methanone |
| PubChem CID | 170767344 |
| Molecular Formula | C10H17FN2O |
| Molecular Weight | 200.26 g/mol |
| Exact Mass | 200.13 |
| IUPAC Name | (2,4-dimethylpyrrolidin-1-yl)-(3-fluoroazetidin-1-yl)methanone |
| SMILES | CC1CC(C)N(C(=O)N2CC(F)C2)C1 |
| InChI | InChI=1S/C10H17FN2O/c1-7-3-8(2)13(4-7)10(14)12-5-9(11)6-12/h7-9H,3-6H2,1-2H3 |
| InChIKey | DDWVQFQKOFUVKI-UHFFFAOYSA-N |
| XLogP | 1.49 |
| TPSA | 23.55 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 200.26 |
| LogP ≤ 5 | 1.49 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of (2,4-dimethylpyrrolidin-1-yl)-(3-fluoroazetidin-1-yl)methanone?
The IUPAC name of (2,4-dimethylpyrrolidin-1-yl)-(3-fluoroazetidin-1-yl)methanone (CID 170767344) is (2,4-dimethylpyrrolidin-1-yl)-(3-fluoroazetidin-1-yl)methanone.
What is the SMILES notation for (2,4-dimethylpyrrolidin-1-yl)-(3-fluoroazetidin-1-yl)methanone?
The canonical SMILES for (2,4-dimethylpyrrolidin-1-yl)-(3-fluoroazetidin-1-yl)methanone is CC1CC(C)N(C(=O)N2CC(F)C2)C1.
What is the InChIKey of (2,4-dimethylpyrrolidin-1-yl)-(3-fluoroazetidin-1-yl)methanone?
The InChIKey is DDWVQFQKOFUVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O/c1-7-3-8(2)13(4-7)10(14)12-5-9(11)6-12/h7-9H,3-6H2,1-2H3.
What are the key properties of (2,4-dimethylpyrrolidin-1-yl)-(3-fluoroazetidin-1-yl)methanone?
(2,4-dimethylpyrrolidin-1-yl)-(3-fluoroazetidin-1-yl)methanone has a molecular weight of 200.26 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpyrrolidin-1-yl)-(3-fluoroazetidin-1-yl)methanone is sourced from PubChem (CID 170767344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).