About 5-imino-1-oxidopyrrolidin-1-ium-3-ol
5-imino-1-oxidopyrrolidin-1-ium-3-ol (PubChem CID 88801921) has the molecular formula C4H8N2O2
and a molecular weight of 116.12 g/mol. Its IUPAC name is 5-imino-1-oxidopyrrolidin-1-ium-3-ol.
Molecular Properties
| Compound Name | 5-imino-1-oxidopyrrolidin-1-ium-3-ol |
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| PubChem CID | 88801921 |
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| Molecular Formula | C4H8N2O2 |
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| Molecular Weight | 116.12 g/mol |
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| Exact Mass | 116.06 |
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| IUPAC Name | 5-imino-1-oxidopyrrolidin-1-ium-3-ol |
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| SMILES | [H]/N=C1\CC(O)C[NH+]1[O-] |
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| InChI | InChI=1S/C4H8N2O2/c5-4-1-3(7)2-6(4)8/h3,5-7H,1-2H2/b5-4+ |
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| InChIKey | IHSFJMSNZQXYDE-SNAWJCMRSA-N |
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| XLogP | -1.89 |
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| TPSA | 71.58 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | |
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| Heavy Atoms | 8 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 116.12 |
| LogP ≤ 5 | -1.89 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 5-imino-1-oxidopyrrolidin-1-ium-3-ol?
The IUPAC name of 5-imino-1-oxidopyrrolidin-1-ium-3-ol (CID 88801921) is 5-imino-1-oxidopyrrolidin-1-ium-3-ol.
What is the SMILES notation for 5-imino-1-oxidopyrrolidin-1-ium-3-ol?
The canonical SMILES for 5-imino-1-oxidopyrrolidin-1-ium-3-ol is [H]/N=C1\CC(O)C[NH+]1[O-].
What is the InChIKey of 5-imino-1-oxidopyrrolidin-1-ium-3-ol?
The InChIKey is IHSFJMSNZQXYDE-SNAWJCMRSA-N. The full InChI is InChI=1S/C4H8N2O2/c5-4-1-3(7)2-6(4)8/h3,5-7H,1-2H2/b5-4+.
What are the key properties of 5-imino-1-oxidopyrrolidin-1-ium-3-ol?
5-imino-1-oxidopyrrolidin-1-ium-3-ol has a molecular weight of 116.12 g/mol, XLogP of -1.89, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-1-oxidopyrrolidin-1-ium-3-ol is sourced from PubChem (CID 88801921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).