About CID 59967662
CID 59967662 (PubChem CID 59967662) has the molecular formula C6H8NO5
and a molecular weight of 174.13 g/mol.
Molecular Properties
| Compound Name | CID 59967662 |
|---|
| PubChem CID | 59967662 |
|---|
| Molecular Formula | C6H8NO5 |
|---|
| Molecular Weight | 174.13 g/mol |
|---|
| Exact Mass | 174.04 |
|---|
| IUPAC Name | — |
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| SMILES | [CH2]ON=C(C(=O)OC)C(=O)OC |
|---|
| InChI | InChI=1S/C6H8NO5/c1-10-5(8)4(7-12-3)6(9)11-2/h3H2,1-2H3 |
|---|
| InChIKey | CWEGOGCLAIVUEI-UHFFFAOYSA-N |
|---|
| XLogP | -0.50 |
|---|
| TPSA | 74.19 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 12 |
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| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 174.13 |
| LogP ≤ 5 | -0.50 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of CID 59967662?
The IUPAC name of CID 59967662 (CID 59967662) is not available.
What is the SMILES notation for CID 59967662?
The canonical SMILES for CID 59967662 is [CH2]ON=C(C(=O)OC)C(=O)OC.
What is the InChIKey of CID 59967662?
The InChIKey is CWEGOGCLAIVUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NO5/c1-10-5(8)4(7-12-3)6(9)11-2/h3H2,1-2H3.
What are the key properties of CID 59967662?
CID 59967662 has a molecular weight of 174.13 g/mol, XLogP of -0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59967662 is sourced from PubChem (CID 59967662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).