About 3-methyl-3,4-dihydrocarbazol-2-one
3-methyl-3,4-dihydrocarbazol-2-one (PubChem CID 174479793) has the molecular formula C13H11NO
and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-methyl-3,4-dihydrocarbazol-2-one.
Molecular Properties
| Compound Name | 3-methyl-3,4-dihydrocarbazol-2-one |
|---|
| PubChem CID | 174479793 |
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| Molecular Formula | C13H11NO |
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| Molecular Weight | 197.24 g/mol |
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| Exact Mass | 197.08 |
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| IUPAC Name | 3-methyl-3,4-dihydrocarbazol-2-one |
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| SMILES | CC1CC2=c3ccccc3=NC2=CC1=O |
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| InChI | InChI=1S/C13H11NO/c1-8-6-10-9-4-2-3-5-11(9)14-12(10)7-13(8)15/h2-5,7-8H,6H2,1H3 |
|---|
| InChIKey | JFEGCCOHEYLHCJ-UHFFFAOYSA-N |
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| XLogP | 0.96 |
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| TPSA | 29.43 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 |
|---|
| MW ≤ 500 | 197.24 |
| LogP ≤ 5 | 0.96 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 3-methyl-3,4-dihydrocarbazol-2-one?
The IUPAC name of 3-methyl-3,4-dihydrocarbazol-2-one (CID 174479793) is 3-methyl-3,4-dihydrocarbazol-2-one.
What is the SMILES notation for 3-methyl-3,4-dihydrocarbazol-2-one?
The canonical SMILES for 3-methyl-3,4-dihydrocarbazol-2-one is CC1CC2=c3ccccc3=NC2=CC1=O.
What is the InChIKey of 3-methyl-3,4-dihydrocarbazol-2-one?
The InChIKey is JFEGCCOHEYLHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c1-8-6-10-9-4-2-3-5-11(9)14-12(10)7-13(8)15/h2-5,7-8H,6H2,1H3.
What are the key properties of 3-methyl-3,4-dihydrocarbazol-2-one?
3-methyl-3,4-dihydrocarbazol-2-one has a molecular weight of 197.24 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,4-dihydrocarbazol-2-one is sourced from PubChem (CID 174479793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).