About ethane;3-methyl-5,6-dihydro-4H-oxazine
ethane;3-methyl-5,6-dihydro-4H-oxazine (PubChem CID 91487152) has the molecular formula C7H15NO
and a molecular weight of 129.20 g/mol. Its IUPAC name is ethane;3-methyl-5,6-dihydro-4H-oxazine.
Molecular Properties
| Compound Name | ethane;3-methyl-5,6-dihydro-4H-oxazine |
|---|
| PubChem CID | 91487152 |
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| Molecular Formula | C7H15NO |
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| Molecular Weight | 129.20 g/mol |
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| Exact Mass | 129.12 |
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| IUPAC Name | ethane;3-methyl-5,6-dihydro-4H-oxazine |
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| SMILES | CC.CC1=NOCCC1 |
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| InChI | InChI=1S/C5H9NO.C2H6/c1-5-3-2-4-7-6-5;1-2/h2-4H2,1H3;1-2H3 |
|---|
| InChIKey | TZIFNVADBYRUJW-UHFFFAOYSA-N |
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| XLogP | 2.20 |
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| TPSA | 21.59 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 | 9 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 129.20 |
| LogP ≤ 5 | 2.20 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of ethane;3-methyl-5,6-dihydro-4H-oxazine?
The IUPAC name of ethane;3-methyl-5,6-dihydro-4H-oxazine (CID 91487152) is ethane;3-methyl-5,6-dihydro-4H-oxazine.
What is the SMILES notation for ethane;3-methyl-5,6-dihydro-4H-oxazine?
The canonical SMILES for ethane;3-methyl-5,6-dihydro-4H-oxazine is CC.CC1=NOCCC1.
What is the InChIKey of ethane;3-methyl-5,6-dihydro-4H-oxazine?
The InChIKey is TZIFNVADBYRUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C2H6/c1-5-3-2-4-7-6-5;1-2/h2-4H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-5,6-dihydro-4H-oxazine?
ethane;3-methyl-5,6-dihydro-4H-oxazine has a molecular weight of 129.20 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-5,6-dihydro-4H-oxazine is sourced from PubChem (CID 91487152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).