About (Z)-(1-amino-1-oxopropan-2-yl)-methoxyimino-oxidoazanium
(Z)-(1-amino-1-oxopropan-2-yl)-methoxyimino-oxidoazanium (PubChem CID 12917315) has the molecular formula C4H9N3O3
and a molecular weight of 147.13 g/mol. Its IUPAC name is (Z)-(1-amino-1-oxopropan-2-yl)-methoxyimino-oxidoazanium.
Molecular Properties
| Compound Name | (Z)-(1-amino-1-oxopropan-2-yl)-methoxyimino-oxidoazanium |
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| PubChem CID | 12917315 |
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| Molecular Formula | C4H9N3O3 |
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| Molecular Weight | 147.13 g/mol |
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| Exact Mass | 147.06 |
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| IUPAC Name | (Z)-(1-amino-1-oxopropan-2-yl)-methoxyimino-oxidoazanium |
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| SMILES | CO/N=[N+](\[O-])C(C)C(N)=O |
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| InChI | InChI=1S/C4H9N3O3/c1-3(4(5)8)7(9)6-10-2/h3H,1-2H3,(H2,5,8)/b7-6- |
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| InChIKey | DZNUKZDITASIEK-SREVYHEPSA-N |
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| XLogP | -0.62 |
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| TPSA | 90.75 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 3 |
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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 |
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| MW ≤ 500 | 147.13 |
| LogP ≤ 5 | -0.62 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (Z)-(1-amino-1-oxopropan-2-yl)-methoxyimino-oxidoazanium?
The IUPAC name of (Z)-(1-amino-1-oxopropan-2-yl)-methoxyimino-oxidoazanium (CID 12917315) is (Z)-(1-amino-1-oxopropan-2-yl)-methoxyimino-oxidoazanium.
What is the SMILES notation for (Z)-(1-amino-1-oxopropan-2-yl)-methoxyimino-oxidoazanium?
The canonical SMILES for (Z)-(1-amino-1-oxopropan-2-yl)-methoxyimino-oxidoazanium is CO/N=[N+](\[O-])C(C)C(N)=O.
What is the InChIKey of (Z)-(1-amino-1-oxopropan-2-yl)-methoxyimino-oxidoazanium?
The InChIKey is DZNUKZDITASIEK-SREVYHEPSA-N. The full InChI is InChI=1S/C4H9N3O3/c1-3(4(5)8)7(9)6-10-2/h3H,1-2H3,(H2,5,8)/b7-6-.
What are the key properties of (Z)-(1-amino-1-oxopropan-2-yl)-methoxyimino-oxidoazanium?
(Z)-(1-amino-1-oxopropan-2-yl)-methoxyimino-oxidoazanium has a molecular weight of 147.13 g/mol, XLogP of -0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(1-amino-1-oxopropan-2-yl)-methoxyimino-oxidoazanium is sourced from PubChem (CID 12917315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).