About magnesium;benzene;propylazanide
magnesium;benzene;propylazanide (PubChem CID 177409494) has the molecular formula C9H13MgN
and a molecular weight of 159.52 g/mol. Its IUPAC name is magnesium;benzene;propylazanide.
Molecular Properties
| Compound Name | magnesium;benzene;propylazanide |
|---|
| PubChem CID | 177409494 |
|---|
| Molecular Formula | C9H13MgN |
|---|
| Molecular Weight | 159.52 g/mol |
|---|
| Exact Mass | 159.09 |
|---|
| IUPAC Name | magnesium;benzene;propylazanide |
|---|
| SMILES | CCC[NH-].[Mg+2].[c-]1ccccc1 |
|---|
| InChI | InChI=1S/C6H5.C3H8N.Mg/c1-2-4-6-5-3-1;1-2-3-4;/h1-5H;4H,2-3H2,1H3;/q2*-1;+2 |
|---|
| InChIKey | CXTURKHGPAUJCQ-UHFFFAOYSA-N |
|---|
| XLogP | 2.55 |
|---|
| TPSA | 23.80 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | 1 |
|---|
| Heavy Atoms | 11 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 159.52 |
| LogP ≤ 5 | 2.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
Analyze magnesium;benzene;propylazanide 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 magnesium;benzene;propylazanide?
The IUPAC name of magnesium;benzene;propylazanide (CID 177409494) is magnesium;benzene;propylazanide.
What is the SMILES notation for magnesium;benzene;propylazanide?
The canonical SMILES for magnesium;benzene;propylazanide is CCC[NH-].[Mg+2].[c-]1ccccc1.
What is the InChIKey of magnesium;benzene;propylazanide?
The InChIKey is CXTURKHGPAUJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.C3H8N.Mg/c1-2-4-6-5-3-1;1-2-3-4;/h1-5H;4H,2-3H2,1H3;/q2*-1;+2.
What are the key properties of magnesium;benzene;propylazanide?
magnesium;benzene;propylazanide has a molecular weight of 159.52 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;benzene;propylazanide is sourced from PubChem (CID 177409494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).