About 1-[5-(3-methoxypyrrolidin-1-yl)furan-2-yl]ethanone
1-[5-(3-methoxypyrrolidin-1-yl)furan-2-yl]ethanone (PubChem CID 103534376) has the molecular formula C11H15NO3
and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-[5-(3-methoxypyrrolidin-1-yl)furan-2-yl]ethanone.
Molecular Properties
| Compound Name | 1-[5-(3-methoxypyrrolidin-1-yl)furan-2-yl]ethanone |
| PubChem CID | 103534376 |
| Molecular Formula | C11H15NO3 |
| Molecular Weight | 209.25 g/mol |
| Exact Mass | 209.11 |
| IUPAC Name | 1-[5-(3-methoxypyrrolidin-1-yl)furan-2-yl]ethanone |
| SMILES | COC1CCN(c2ccc(C(C)=O)o2)C1 |
| InChI | InChI=1S/C11H15NO3/c1-8(13)10-3-4-11(15-10)12-6-5-9(7-12)14-2/h3-4,9H,5-7H2,1-2H3 |
| InChIKey | FSLGYTZTFBFUGO-UHFFFAOYSA-N |
| XLogP | 1.71 |
| TPSA | 42.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 209.25 |
| LogP ≤ 5 | 1.71 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 1-[5-(3-methoxypyrrolidin-1-yl)furan-2-yl]ethanone?
The IUPAC name of 1-[5-(3-methoxypyrrolidin-1-yl)furan-2-yl]ethanone (CID 103534376) is 1-[5-(3-methoxypyrrolidin-1-yl)furan-2-yl]ethanone.
What is the SMILES notation for 1-[5-(3-methoxypyrrolidin-1-yl)furan-2-yl]ethanone?
The canonical SMILES for 1-[5-(3-methoxypyrrolidin-1-yl)furan-2-yl]ethanone is COC1CCN(c2ccc(C(C)=O)o2)C1.
What is the InChIKey of 1-[5-(3-methoxypyrrolidin-1-yl)furan-2-yl]ethanone?
The InChIKey is FSLGYTZTFBFUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(13)10-3-4-11(15-10)12-6-5-9(7-12)14-2/h3-4,9H,5-7H2,1-2H3.
What are the key properties of 1-[5-(3-methoxypyrrolidin-1-yl)furan-2-yl]ethanone?
1-[5-(3-methoxypyrrolidin-1-yl)furan-2-yl]ethanone has a molecular weight of 209.25 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methoxypyrrolidin-1-yl)furan-2-yl]ethanone is sourced from PubChem (CID 103534376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).