About 1-cyclopentyl-3-(oxolan-3-yl)urea
1-cyclopentyl-3-(oxolan-3-yl)urea (PubChem CID 115758222) has the molecular formula C10H18N2O2
and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-cyclopentyl-3-(oxolan-3-yl)urea.
Molecular Properties
| Compound Name | 1-cyclopentyl-3-(oxolan-3-yl)urea |
| PubChem CID | 115758222 |
| Molecular Formula | C10H18N2O2 |
| Molecular Weight | 198.27 g/mol |
| Exact Mass | 198.14 |
| IUPAC Name | 1-cyclopentyl-3-(oxolan-3-yl)urea |
| SMILES | O=C(NC1CCCC1)NC1CCOC1 |
| InChI | InChI=1S/C10H18N2O2/c13-10(11-8-3-1-2-4-8)12-9-5-6-14-7-9/h8-9H,1-7H2,(H2,11,12,13) |
| InChIKey | CHEDEYWCFAFUGB-UHFFFAOYSA-N |
| XLogP | 1.02 |
| TPSA | 50.36 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 198.27 |
| LogP ≤ 5 | 1.02 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 1-cyclopentyl-3-(oxolan-3-yl)urea?
The IUPAC name of 1-cyclopentyl-3-(oxolan-3-yl)urea (CID 115758222) is 1-cyclopentyl-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-cyclopentyl-3-(oxolan-3-yl)urea is O=C(NC1CCCC1)NC1CCOC1.
What is the InChIKey of 1-cyclopentyl-3-(oxolan-3-yl)urea?
The InChIKey is CHEDEYWCFAFUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c13-10(11-8-3-1-2-4-8)12-9-5-6-14-7-9/h8-9H,1-7H2,(H2,11,12,13).
What are the key properties of 1-cyclopentyl-3-(oxolan-3-yl)urea?
1-cyclopentyl-3-(oxolan-3-yl)urea has a molecular weight of 198.27 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(oxolan-3-yl)urea is sourced from PubChem (CID 115758222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).