About cyclobutene
cyclobutene (PubChem CID 20517157) has the molecular formula C4H5+
and a molecular weight of 53.08 g/mol. Its IUPAC name is cyclobutene.
Molecular Properties
| Compound Name | cyclobutene |
|---|
| PubChem CID | 20517157 |
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| Molecular Formula | C4H5+ |
|---|
| Molecular Weight | 53.08 g/mol |
|---|
| Exact Mass | 53.04 |
|---|
| IUPAC Name | cyclobutene |
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| SMILES | [C+]1=CCC1 |
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| InChI | InChI=1S/C4H5/c1-2-4-3-1/h1H,2,4H2/q+1 |
|---|
| InChIKey | FJENHLKDNJIZJE-UHFFFAOYSA-N |
|---|
| XLogP | 1.14 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 4 |
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| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 53.08 |
| LogP ≤ 5 | 1.14 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of cyclobutene?
The IUPAC name of cyclobutene (CID 20517157) is cyclobutene.
What is the SMILES notation for cyclobutene?
The canonical SMILES for cyclobutene is [C+]1=CCC1.
What is the InChIKey of cyclobutene?
The InChIKey is FJENHLKDNJIZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5/c1-2-4-3-1/h1H,2,4H2/q+1.
What are the key properties of cyclobutene?
cyclobutene has a molecular weight of 53.08 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutene is sourced from PubChem (CID 20517157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).