About 1,2,3,8a-tetrahydroquinoxalin-4-ium
1,2,3,8a-tetrahydroquinoxalin-4-ium (PubChem CID 173077513) has the molecular formula C8H11N2+
and a molecular weight of 135.19 g/mol. Its IUPAC name is 1,2,3,8a-tetrahydroquinoxalin-4-ium.
Molecular Properties
| Compound Name | 1,2,3,8a-tetrahydroquinoxalin-4-ium |
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| PubChem CID | 173077513 |
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| Molecular Formula | C8H11N2+ |
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| Molecular Weight | 135.19 g/mol |
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| Exact Mass | 135.09 |
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| IUPAC Name | 1,2,3,8a-tetrahydroquinoxalin-4-ium |
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| SMILES | C1=CC2=[NH+]CCNC2C=C1 |
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| InChI | InChI=1S/C8H10N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4,7,9H,5-6H2/p+1 |
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| InChIKey | WWZQIUNWEZRSMX-UHFFFAOYSA-O |
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| XLogP | -1.39 |
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| TPSA | 26.00 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | |
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| Heavy Atoms | 10 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 135.19 |
| LogP ≤ 5 | -1.39 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 1,2,3,8a-tetrahydroquinoxalin-4-ium?
The IUPAC name of 1,2,3,8a-tetrahydroquinoxalin-4-ium (CID 173077513) is 1,2,3,8a-tetrahydroquinoxalin-4-ium.
What is the SMILES notation for 1,2,3,8a-tetrahydroquinoxalin-4-ium?
The canonical SMILES for 1,2,3,8a-tetrahydroquinoxalin-4-ium is C1=CC2=[NH+]CCNC2C=C1.
What is the InChIKey of 1,2,3,8a-tetrahydroquinoxalin-4-ium?
The InChIKey is WWZQIUNWEZRSMX-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H10N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4,7,9H,5-6H2/p+1.
What are the key properties of 1,2,3,8a-tetrahydroquinoxalin-4-ium?
1,2,3,8a-tetrahydroquinoxalin-4-ium has a molecular weight of 135.19 g/mol, XLogP of -1.39, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,8a-tetrahydroquinoxalin-4-ium is sourced from PubChem (CID 173077513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).