About hydron;tetrakis(prop-2-enyl)azanium;hydrate
hydron;tetrakis(prop-2-enyl)azanium;hydrate (PubChem CID 174431949) has the molecular formula C12H23NO+2
and a molecular weight of 197.32 g/mol. Its IUPAC name is hydron;tetrakis(prop-2-enyl)azanium;hydrate.
Molecular Properties
| Compound Name | hydron;tetrakis(prop-2-enyl)azanium;hydrate |
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| PubChem CID | 174431949 |
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| Molecular Formula | C12H23NO+2 |
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| Molecular Weight | 197.32 g/mol |
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| Exact Mass | 197.18 |
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| IUPAC Name | hydron;tetrakis(prop-2-enyl)azanium;hydrate |
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| SMILES | C=CC[N+](CC=C)(CC=C)CC=C.O.[H+] |
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| InChI | InChI=1S/C12H20N.H2O/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-8H,1-4,9-12H2;1H2/q+1;/p+1 |
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| InChIKey | HSBKAASCWAGSFZ-UHFFFAOYSA-O |
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| XLogP | 1.84 |
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| TPSA | 31.50 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 14 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 197.32 |
| LogP ≤ 5 | 1.84 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of hydron;tetrakis(prop-2-enyl)azanium;hydrate?
The IUPAC name of hydron;tetrakis(prop-2-enyl)azanium;hydrate (CID 174431949) is hydron;tetrakis(prop-2-enyl)azanium;hydrate.
What is the SMILES notation for hydron;tetrakis(prop-2-enyl)azanium;hydrate?
The canonical SMILES for hydron;tetrakis(prop-2-enyl)azanium;hydrate is C=CC[N+](CC=C)(CC=C)CC=C.O.[H+].
What is the InChIKey of hydron;tetrakis(prop-2-enyl)azanium;hydrate?
The InChIKey is HSBKAASCWAGSFZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H20N.H2O/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-8H,1-4,9-12H2;1H2/q+1;/p+1.
What are the key properties of hydron;tetrakis(prop-2-enyl)azanium;hydrate?
hydron;tetrakis(prop-2-enyl)azanium;hydrate has a molecular weight of 197.32 g/mol, XLogP of 1.84, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;tetrakis(prop-2-enyl)azanium;hydrate is sourced from PubChem (CID 174431949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).