[1-(hydroxyamino)-1-oxopropan-2-yl]-trimethylazanium iodide

C6H15IN2O2 — CID 171384066

IUPAC[1-(hydroxyamino)-1-oxopropan-2-yl]-trimethylazanium iodide
SMILESCC(C(=O)NO)[N+](C)(C)C.[I-]
InChIInChI=1S/C6H14N2O2.HI/c1-5(6(9)7-10)8(2,3)4;/h5H,1-4H3,(H-,7,9,10);1H
InChIKeyKJWVCODRWPIHDD-UHFFFAOYSA-N
MW274.10 g/mol
LogP-3.41
Rot. Bonds2

About [1-(hydroxyamino)-1-oxopropan-2-yl]-trimethylazanium iodide

[1-(hydroxyamino)-1-oxopropan-2-yl]-trimethylazanium iodide (PubChem CID 171384066) has the molecular formula C6H15IN2O2 and a molecular weight of 274.10 g/mol. Its IUPAC name is [1-(hydroxyamino)-1-oxopropan-2-yl]-trimethylazanium iodide.

Molecular Properties

Compound Name[1-(hydroxyamino)-1-oxopropan-2-yl]-trimethylazanium iodide
PubChem CID171384066
Molecular FormulaC6H15IN2O2
Molecular Weight274.10 g/mol
Exact Mass274.02
IUPAC Name[1-(hydroxyamino)-1-oxopropan-2-yl]-trimethylazanium iodide
SMILESCC(C(=O)NO)[N+](C)(C)C.[I-]
InChIInChI=1S/C6H14N2O2.HI/c1-5(6(9)7-10)8(2,3)4;/h5H,1-4H3,(H-,7,9,10);1H
InChIKeyKJWVCODRWPIHDD-UHFFFAOYSA-N
XLogP-3.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 5-3.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(hydroxyamino)-1-oxopropan-2-yl]-trimethylazanium iodide?
The IUPAC name of [1-(hydroxyamino)-1-oxopropan-2-yl]-trimethylazanium iodide (CID 171384066) is [1-(hydroxyamino)-1-oxopropan-2-yl]-trimethylazanium iodide.
What is the SMILES notation for [1-(hydroxyamino)-1-oxopropan-2-yl]-trimethylazanium iodide?
The canonical SMILES for [1-(hydroxyamino)-1-oxopropan-2-yl]-trimethylazanium iodide is CC(C(=O)NO)[N+](C)(C)C.[I-].
What is the InChIKey of [1-(hydroxyamino)-1-oxopropan-2-yl]-trimethylazanium iodide?
The InChIKey is KJWVCODRWPIHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2.HI/c1-5(6(9)7-10)8(2,3)4;/h5H,1-4H3,(H-,7,9,10);1H.
What are the key properties of [1-(hydroxyamino)-1-oxopropan-2-yl]-trimethylazanium iodide?
[1-(hydroxyamino)-1-oxopropan-2-yl]-trimethylazanium iodide has a molecular weight of 274.10 g/mol, XLogP of -3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxyamino)-1-oxopropan-2-yl]-trimethylazanium iodide is sourced from PubChem (CID 171384066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).