About oxovanadium;prop-1-ene
oxovanadium;prop-1-ene (PubChem CID 174910979) has the molecular formula C3H6OV
and a molecular weight of 109.02 g/mol. Its IUPAC name is oxovanadium;prop-1-ene.
Molecular Properties
| Compound Name | oxovanadium;prop-1-ene |
| PubChem CID | 174910979 |
| Molecular Formula | C3H6OV |
| Molecular Weight | 109.02 g/mol |
| Exact Mass | 108.99 |
| IUPAC Name | oxovanadium;prop-1-ene |
| SMILES | C=CC.O=[V] |
| InChI | InChI=1S/C3H6.O.V/c1-3-2;;/h3H,1H2,2H3;; |
| InChIKey | QETFKJKPIRTSDZ-UHFFFAOYSA-N |
| XLogP | 1.07 |
| TPSA | 17.07 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | |
| Heavy Atoms | 5 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 109.02 |
| LogP ≤ 5 | 1.07 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of oxovanadium;prop-1-ene?
The IUPAC name of oxovanadium;prop-1-ene (CID 174910979) is oxovanadium;prop-1-ene.
What is the SMILES notation for oxovanadium;prop-1-ene?
The canonical SMILES for oxovanadium;prop-1-ene is C=CC.O=[V].
What is the InChIKey of oxovanadium;prop-1-ene?
The InChIKey is QETFKJKPIRTSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6.O.V/c1-3-2;;/h3H,1H2,2H3;;.
What are the key properties of oxovanadium;prop-1-ene?
oxovanadium;prop-1-ene has a molecular weight of 109.02 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxovanadium;prop-1-ene is sourced from PubChem (CID 174910979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).