tetraacetylazanium hydroxide

C8H13NO5 — CID 139943330

IUPACtetraacetylazanium hydroxide
SMILESCC(=O)[N+](C(C)=O)(C(C)=O)C(C)=O.[OH-]
InChIInChI=1S/C8H12NO4.H2O/c1-5(10)9(6(2)11,7(3)12)8(4)13;/h1-4H3;1H2/q+1;/p-1
InChIKeyOZFCEUMLRBTKJI-UHFFFAOYSA-M
MW203.19 g/mol
LogP-0.19
Rot. Bonds

About tetraacetylazanium hydroxide

tetraacetylazanium hydroxide (PubChem CID 139943330) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is tetraacetylazanium hydroxide.

Molecular Properties

Compound Nametetraacetylazanium hydroxide
PubChem CID139943330
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Nametetraacetylazanium hydroxide
SMILESCC(=O)[N+](C(C)=O)(C(C)=O)C(C)=O.[OH-]
InChIInChI=1S/C8H12NO4.H2O/c1-5(10)9(6(2)11,7(3)12)8(4)13;/h1-4H3;1H2/q+1;/p-1
InChIKeyOZFCEUMLRBTKJI-UHFFFAOYSA-M
XLogP-0.19
TPSA98.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetraacetylazanium hydroxide?
The IUPAC name of tetraacetylazanium hydroxide (CID 139943330) is tetraacetylazanium hydroxide.
What is the SMILES notation for tetraacetylazanium hydroxide?
The canonical SMILES for tetraacetylazanium hydroxide is CC(=O)[N+](C(C)=O)(C(C)=O)C(C)=O.[OH-].
What is the InChIKey of tetraacetylazanium hydroxide?
The InChIKey is OZFCEUMLRBTKJI-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H12NO4.H2O/c1-5(10)9(6(2)11,7(3)12)8(4)13;/h1-4H3;1H2/q+1;/p-1.
What are the key properties of tetraacetylazanium hydroxide?
tetraacetylazanium hydroxide has a molecular weight of 203.19 g/mol, XLogP of -0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tetraacetylazanium hydroxide is sourced from PubChem (CID 139943330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).