[(3Z)-3-hydroxyimino-2-oxobutyl]-trimethylazanium iodide

C7H15IN2O2 — CID 126476017

IUPAC[(3Z)-3-hydroxyimino-2-oxobutyl]-trimethylazanium iodide
SMILESC/C(=N/O)C(=O)C[N+](C)(C)C.[I-]
InChIInChI=1S/C7H14N2O2.HI/c1-6(8-11)7(10)5-9(2,3)4;/h5H2,1-4H3;1H
InChIKeyJOEGYLXABWAWAB-UHFFFAOYSA-N
MW286.11 g/mol
LogP-2.88
Rot. Bonds3

About [(3Z)-3-hydroxyimino-2-oxobutyl]-trimethylazanium iodide

[(3Z)-3-hydroxyimino-2-oxobutyl]-trimethylazanium iodide (PubChem CID 126476017) has the molecular formula C7H15IN2O2 and a molecular weight of 286.11 g/mol. Its IUPAC name is [(3Z)-3-hydroxyimino-2-oxobutyl]-trimethylazanium iodide.

Molecular Properties

Compound Name[(3Z)-3-hydroxyimino-2-oxobutyl]-trimethylazanium iodide
PubChem CID126476017
Molecular FormulaC7H15IN2O2
Molecular Weight286.11 g/mol
Exact Mass286.02
IUPAC Name[(3Z)-3-hydroxyimino-2-oxobutyl]-trimethylazanium iodide
SMILESC/C(=N/O)C(=O)C[N+](C)(C)C.[I-]
InChIInChI=1S/C7H14N2O2.HI/c1-6(8-11)7(10)5-9(2,3)4;/h5H2,1-4H3;1H
InChIKeyJOEGYLXABWAWAB-UHFFFAOYSA-N
XLogP-2.88
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.11
LogP ≤ 5-2.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3Z)-3-hydroxyimino-2-oxobutyl]-trimethylazanium iodide?
The IUPAC name of [(3Z)-3-hydroxyimino-2-oxobutyl]-trimethylazanium iodide (CID 126476017) is [(3Z)-3-hydroxyimino-2-oxobutyl]-trimethylazanium iodide.
What is the SMILES notation for [(3Z)-3-hydroxyimino-2-oxobutyl]-trimethylazanium iodide?
The canonical SMILES for [(3Z)-3-hydroxyimino-2-oxobutyl]-trimethylazanium iodide is C/C(=N/O)C(=O)C[N+](C)(C)C.[I-].
What is the InChIKey of [(3Z)-3-hydroxyimino-2-oxobutyl]-trimethylazanium iodide?
The InChIKey is JOEGYLXABWAWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.HI/c1-6(8-11)7(10)5-9(2,3)4;/h5H2,1-4H3;1H.
What are the key properties of [(3Z)-3-hydroxyimino-2-oxobutyl]-trimethylazanium iodide?
[(3Z)-3-hydroxyimino-2-oxobutyl]-trimethylazanium iodide has a molecular weight of 286.11 g/mol, XLogP of -2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-3-hydroxyimino-2-oxobutyl]-trimethylazanium iodide is sourced from PubChem (CID 126476017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).