About CID 173236591
CID 173236591 (PubChem CID 173236591) has the molecular formula C3H5BLi
and a molecular weight of 58.83 g/mol.
Molecular Properties
| Compound Name | CID 173236591 |
|---|
| PubChem CID | 173236591 |
|---|
| Molecular Formula | C3H5BLi |
|---|
| Molecular Weight | 58.83 g/mol |
|---|
| Exact Mass | 59.06 |
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| IUPAC Name | — |
|---|
| SMILES | C=C[CH2-].[B].[Li+] |
|---|
| InChI | InChI=1S/C3H5.B.Li/c1-3-2;;/h3H,1-2H2;;/q-1;;+1 |
|---|
| InChIKey | AKAUSOVTJQCVPV-UHFFFAOYSA-N |
|---|
| XLogP | -2.37 |
|---|
| TPSA | 0.00 Ų |
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| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 5 |
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| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 58.83 |
| LogP ≤ 5 | -2.37 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of CID 173236591?
The IUPAC name of CID 173236591 (CID 173236591) is not available.
What is the SMILES notation for CID 173236591?
The canonical SMILES for CID 173236591 is C=C[CH2-].[B].[Li+].
What is the InChIKey of CID 173236591?
The InChIKey is AKAUSOVTJQCVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5.B.Li/c1-3-2;;/h3H,1-2H2;;/q-1;;+1.
What are the key properties of CID 173236591?
CID 173236591 has a molecular weight of 58.83 g/mol, XLogP of -2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173236591 is sourced from PubChem (CID 173236591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).