About cyclopropene
cyclopropene (PubChem CID 141033262) has the molecular formula C6H8
and a molecular weight of 80.13 g/mol. Its IUPAC name is cyclopropene.
Molecular Properties
| Compound Name | cyclopropene |
|---|
| PubChem CID | 141033262 |
|---|
| Molecular Formula | C6H8 |
|---|
| Molecular Weight | 80.13 g/mol |
|---|
| Exact Mass | 80.06 |
|---|
| IUPAC Name | cyclopropene |
|---|
| SMILES | C1=CC1.C1=CC1 |
|---|
| InChI | InChI=1S/2C3H4/c2*1-2-3-1/h2*1-2H,3H2 |
|---|
| InChIKey | KVJJRWZUQQUIAG-UHFFFAOYSA-N |
|---|
| XLogP | 1.89 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 6 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 80.13 |
| LogP ≤ 5 | 1.89 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
|---|
Analyze cyclopropene with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of cyclopropene?
The IUPAC name of cyclopropene (CID 141033262) is cyclopropene.
What is the SMILES notation for cyclopropene?
The canonical SMILES for cyclopropene is C1=CC1.C1=CC1.
What is the InChIKey of cyclopropene?
The InChIKey is KVJJRWZUQQUIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H4/c2*1-2-3-1/h2*1-2H,3H2.
What are the key properties of cyclopropene?
cyclopropene has a molecular weight of 80.13 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropene is sourced from PubChem (CID 141033262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).