About furan-3-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
furan-3-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 24631497) has the molecular formula C14H14N2O2
and a molecular weight of 242.28 g/mol. Its IUPAC name is furan-3-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone.
Molecular Properties
| Compound Name | furan-3-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone |
| PubChem CID | 24631497 |
| Molecular Formula | C14H14N2O2 |
| Molecular Weight | 242.28 g/mol |
| Exact Mass | 242.11 |
| IUPAC Name | furan-3-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone |
| SMILES | O=C(c1ccoc1)N1CCCC1c1ccncc1 |
| InChI | InChI=1S/C14H14N2O2/c17-14(12-5-9-18-10-12)16-8-1-2-13(16)11-3-6-15-7-4-11/h3-7,9-10,13H,1-2,8H2 |
| InChIKey | UQLZOWKQNMNHHP-UHFFFAOYSA-N |
| XLogP | 2.65 |
| TPSA | 46.34 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 242.28 |
| LogP ≤ 5 | 2.65 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of furan-3-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of furan-3-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone (CID 24631497) is furan-3-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for furan-3-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for furan-3-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone is O=C(c1ccoc1)N1CCCC1c1ccncc1.
What is the InChIKey of furan-3-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is UQLZOWKQNMNHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-14(12-5-9-18-10-12)16-8-1-2-13(16)11-3-6-15-7-4-11/h3-7,9-10,13H,1-2,8H2.
What are the key properties of furan-3-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
furan-3-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 242.28 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 24631497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).