About 3H-cyclopenta[a]naphthalene-1,2-dione
3H-cyclopenta[a]naphthalene-1,2-dione (PubChem CID 67055632) has the molecular formula C13H8O2
and a molecular weight of 196.21 g/mol. Its IUPAC name is 3H-cyclopenta[a]naphthalene-1,2-dione.
Molecular Properties
| Compound Name | 3H-cyclopenta[a]naphthalene-1,2-dione |
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| PubChem CID | 67055632 |
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| Molecular Formula | C13H8O2 |
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| Molecular Weight | 196.21 g/mol |
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| Exact Mass | 196.05 |
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| IUPAC Name | 3H-cyclopenta[a]naphthalene-1,2-dione |
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| SMILES | O=C1Cc2ccc3ccccc3c2C1=O |
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| InChI | InChI=1S/C13H8O2/c14-11-7-9-6-5-8-3-1-2-4-10(8)12(9)13(11)15/h1-6H,7H2 |
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| InChIKey | FWANVDQPTHCGCO-UHFFFAOYSA-N |
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| XLogP | 2.15 |
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| TPSA | 34.14 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 | 15 |
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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 | 196.21 |
| LogP ≤ 5 | 2.15 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 3H-cyclopenta[a]naphthalene-1,2-dione?
The IUPAC name of 3H-cyclopenta[a]naphthalene-1,2-dione (CID 67055632) is 3H-cyclopenta[a]naphthalene-1,2-dione.
What is the SMILES notation for 3H-cyclopenta[a]naphthalene-1,2-dione?
The canonical SMILES for 3H-cyclopenta[a]naphthalene-1,2-dione is O=C1Cc2ccc3ccccc3c2C1=O.
What is the InChIKey of 3H-cyclopenta[a]naphthalene-1,2-dione?
The InChIKey is FWANVDQPTHCGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O2/c14-11-7-9-6-5-8-3-1-2-4-10(8)12(9)13(11)15/h1-6H,7H2.
What are the key properties of 3H-cyclopenta[a]naphthalene-1,2-dione?
3H-cyclopenta[a]naphthalene-1,2-dione has a molecular weight of 196.21 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-cyclopenta[a]naphthalene-1,2-dione is sourced from PubChem (CID 67055632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).