About prop-1-ene;hydrochloride
prop-1-ene;hydrochloride (PubChem CID 19097823) has the molecular formula C3H7Cl
and a molecular weight of 78.54 g/mol. Its IUPAC name is prop-1-ene;hydrochloride.
Molecular Properties
| Compound Name | prop-1-ene;hydrochloride |
|---|
| PubChem CID | 19097823 |
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| Molecular Formula | C3H7Cl |
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| Molecular Weight | 78.54 g/mol |
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| Exact Mass | 78.02 |
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| IUPAC Name | prop-1-ene;hydrochloride |
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| SMILES | C=CC.Cl |
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| InChI | InChI=1S/C3H6.ClH/c1-3-2;/h3H,1H2,2H3;1H |
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| InChIKey | PVYDNJADTSAQQU-UHFFFAOYSA-N |
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| XLogP | 1.61 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | |
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| Heavy Atoms | 4 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 78.54 |
| LogP ≤ 5 | 1.61 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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 prop-1-ene;hydrochloride?
The IUPAC name of prop-1-ene;hydrochloride (CID 19097823) is prop-1-ene;hydrochloride.
What is the SMILES notation for prop-1-ene;hydrochloride?
The canonical SMILES for prop-1-ene;hydrochloride is C=CC.Cl.
What is the InChIKey of prop-1-ene;hydrochloride?
The InChIKey is PVYDNJADTSAQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6.ClH/c1-3-2;/h3H,1H2,2H3;1H.
What are the key properties of prop-1-ene;hydrochloride?
prop-1-ene;hydrochloride has a molecular weight of 78.54 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-ene;hydrochloride is sourced from PubChem (CID 19097823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).