About 1-morpholin-4-yl-2-[1-(pyrrolidine-1-carbonyl)cyclopentyl]ethanone
1-morpholin-4-yl-2-[1-(pyrrolidine-1-carbonyl)cyclopentyl]ethanone (PubChem CID 39964571) has the molecular formula C16H26N2O3
and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[1-(pyrrolidine-1-carbonyl)cyclopentyl]ethanone.
Molecular Properties
| Compound Name | 1-morpholin-4-yl-2-[1-(pyrrolidine-1-carbonyl)cyclopentyl]ethanone |
| PubChem CID | 39964571 |
| Molecular Formula | C16H26N2O3 |
| Molecular Weight | 294.39 g/mol |
| Exact Mass | 294.19 |
| IUPAC Name | 1-morpholin-4-yl-2-[1-(pyrrolidine-1-carbonyl)cyclopentyl]ethanone |
| SMILES | O=C(CC1(C(=O)N2CCCC2)CCCC1)N1CCOCC1 |
| InChI | InChI=1S/C16H26N2O3/c19-14(17-9-11-21-12-10-17)13-16(5-1-2-6-16)15(20)18-7-3-4-8-18/h1-13H2 |
| InChIKey | VBUAQQZKWALVJU-UHFFFAOYSA-N |
| XLogP | 1.42 |
| TPSA | 49.85 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 294.39 |
| LogP ≤ 5 | 1.42 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 1-morpholin-4-yl-2-[1-(pyrrolidine-1-carbonyl)cyclopentyl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[1-(pyrrolidine-1-carbonyl)cyclopentyl]ethanone (CID 39964571) is 1-morpholin-4-yl-2-[1-(pyrrolidine-1-carbonyl)cyclopentyl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[1-(pyrrolidine-1-carbonyl)cyclopentyl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[1-(pyrrolidine-1-carbonyl)cyclopentyl]ethanone is O=C(CC1(C(=O)N2CCCC2)CCCC1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[1-(pyrrolidine-1-carbonyl)cyclopentyl]ethanone?
The InChIKey is VBUAQQZKWALVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c19-14(17-9-11-21-12-10-17)13-16(5-1-2-6-16)15(20)18-7-3-4-8-18/h1-13H2.
What are the key properties of 1-morpholin-4-yl-2-[1-(pyrrolidine-1-carbonyl)cyclopentyl]ethanone?
1-morpholin-4-yl-2-[1-(pyrrolidine-1-carbonyl)cyclopentyl]ethanone has a molecular weight of 294.39 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[1-(pyrrolidine-1-carbonyl)cyclopentyl]ethanone is sourced from PubChem (CID 39964571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).