About 2-methyl-6-phenyloxazinane
2-methyl-6-phenyloxazinane (PubChem CID 548191) has the molecular formula C11H15NO
and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-methyl-6-phenyloxazinane.
Molecular Properties
| Compound Name | 2-methyl-6-phenyloxazinane |
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| PubChem CID | 548191 |
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| Molecular Formula | C11H15NO |
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| Molecular Weight | 177.25 g/mol |
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| Exact Mass | 177.12 |
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| IUPAC Name | 2-methyl-6-phenyloxazinane |
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| SMILES | CN1CCCC(c2ccccc2)O1 |
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| InChI | InChI=1S/C11H15NO/c1-12-9-5-8-11(13-12)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3 |
|---|
| InChIKey | HCRBWUKQURHLQZ-UHFFFAOYSA-N |
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| XLogP | 2.38 |
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| TPSA | 12.47 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 1 |
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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 |
|---|
| MW ≤ 500 | 177.25 |
| LogP ≤ 5 | 2.38 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2-methyl-6-phenyloxazinane?
The IUPAC name of 2-methyl-6-phenyloxazinane (CID 548191) is 2-methyl-6-phenyloxazinane.
What is the SMILES notation for 2-methyl-6-phenyloxazinane?
The canonical SMILES for 2-methyl-6-phenyloxazinane is CN1CCCC(c2ccccc2)O1.
What is the InChIKey of 2-methyl-6-phenyloxazinane?
The InChIKey is HCRBWUKQURHLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-12-9-5-8-11(13-12)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3.
What are the key properties of 2-methyl-6-phenyloxazinane?
2-methyl-6-phenyloxazinane has a molecular weight of 177.25 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenyloxazinane is sourced from PubChem (CID 548191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).