About 2-diazoindene-1,3-dione
2-diazoindene-1,3-dione (PubChem CID 4174836) has the molecular formula C9H4N2O2
and a molecular weight of 172.14 g/mol. Its IUPAC name is 2-diazoindene-1,3-dione.
Molecular Properties
| Compound Name | 2-diazoindene-1,3-dione |
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| PubChem CID | 4174836 |
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| Molecular Formula | C9H4N2O2 |
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| Molecular Weight | 172.14 g/mol |
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| Exact Mass | 172.03 |
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| IUPAC Name | 2-diazoindene-1,3-dione |
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| SMILES | [N-]=[N+]=c1c(=O)c2ccccc2c1=O |
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| InChI | InChI=1S/C9H4N2O2/c10-11-7-8(12)5-3-1-2-4-6(5)9(7)13/h1-4H |
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| InChIKey | IUHHODLEEGNQCK-UHFFFAOYSA-N |
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| XLogP | -0.43 |
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| TPSA | 70.54 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 13 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 172.14 |
| LogP ≤ 5 | -0.43 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-diazoindene-1,3-dione?
The IUPAC name of 2-diazoindene-1,3-dione (CID 4174836) is 2-diazoindene-1,3-dione.
What is the SMILES notation for 2-diazoindene-1,3-dione?
The canonical SMILES for 2-diazoindene-1,3-dione is [N-]=[N+]=c1c(=O)c2ccccc2c1=O.
What is the InChIKey of 2-diazoindene-1,3-dione?
The InChIKey is IUHHODLEEGNQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4N2O2/c10-11-7-8(12)5-3-1-2-4-6(5)9(7)13/h1-4H.
What are the key properties of 2-diazoindene-1,3-dione?
2-diazoindene-1,3-dione has a molecular weight of 172.14 g/mol, XLogP of -0.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazoindene-1,3-dione is sourced from PubChem (CID 4174836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).