About 2-(prop-2-enoxymethyl)cyclopentan-1-one
2-(prop-2-enoxymethyl)cyclopentan-1-one (PubChem CID 10796961) has the molecular formula C9H14O2
and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(prop-2-enoxymethyl)cyclopentan-1-one.
Molecular Properties
| Compound Name | 2-(prop-2-enoxymethyl)cyclopentan-1-one |
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| PubChem CID | 10796961 |
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| Molecular Formula | C9H14O2 |
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| Molecular Weight | 154.21 g/mol |
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| Exact Mass | 154.10 |
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| IUPAC Name | 2-(prop-2-enoxymethyl)cyclopentan-1-one |
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| SMILES | C=CCOCC1CCCC1=O |
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| InChI | InChI=1S/C9H14O2/c1-2-6-11-7-8-4-3-5-9(8)10/h2,8H,1,3-7H2 |
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| InChIKey | ZILQUIOTLPOKRJ-UHFFFAOYSA-N |
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| XLogP | 1.56 |
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| TPSA | 26.30 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 11 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 154.21 |
| LogP ≤ 5 | 1.56 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-(prop-2-enoxymethyl)cyclopentan-1-one?
The IUPAC name of 2-(prop-2-enoxymethyl)cyclopentan-1-one (CID 10796961) is 2-(prop-2-enoxymethyl)cyclopentan-1-one.
What is the SMILES notation for 2-(prop-2-enoxymethyl)cyclopentan-1-one?
The canonical SMILES for 2-(prop-2-enoxymethyl)cyclopentan-1-one is C=CCOCC1CCCC1=O.
What is the InChIKey of 2-(prop-2-enoxymethyl)cyclopentan-1-one?
The InChIKey is ZILQUIOTLPOKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-6-11-7-8-4-3-5-9(8)10/h2,8H,1,3-7H2.
What are the key properties of 2-(prop-2-enoxymethyl)cyclopentan-1-one?
2-(prop-2-enoxymethyl)cyclopentan-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enoxymethyl)cyclopentan-1-one is sourced from PubChem (CID 10796961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).