About CID 166544725
CID 166544725 (PubChem CID 166544725) has the molecular formula C7H14N2O3Si
and a molecular weight of 202.29 g/mol.
Molecular Properties
| Compound Name | CID 166544725 |
| PubChem CID | 166544725 |
| Molecular Formula | C7H14N2O3Si |
| Molecular Weight | 202.29 g/mol |
| Exact Mass | 202.08 |
| IUPAC Name | — |
| SMILES | COC(OC)[Si]CN1CCNC1=O |
| InChI | InChI=1S/C7H14N2O3Si/c1-11-7(12-2)13-5-9-4-3-8-6(9)10/h7H,3-5H2,1-2H3,(H,8,10) |
| InChIKey | XAGQLTSWMIBSHP-UHFFFAOYSA-N |
| XLogP | -0.75 |
| TPSA | 50.80 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 13 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 202.29 |
| LogP ≤ 5 | -0.75 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of CID 166544725?
The IUPAC name of CID 166544725 (CID 166544725) is not available.
What is the SMILES notation for CID 166544725?
The canonical SMILES for CID 166544725 is COC(OC)[Si]CN1CCNC1=O.
What is the InChIKey of CID 166544725?
The InChIKey is XAGQLTSWMIBSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3Si/c1-11-7(12-2)13-5-9-4-3-8-6(9)10/h7H,3-5H2,1-2H3,(H,8,10).
What are the key properties of CID 166544725?
CID 166544725 has a molecular weight of 202.29 g/mol, XLogP of -0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166544725 is sourced from PubChem (CID 166544725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).