acetyl(trimethyl)azanium hydroxide

C5H13NO2 — CID 22237167

IUPACacetyl(trimethyl)azanium hydroxide
SMILESCC(=O)[N+](C)(C)C.[OH-]
InChIInChI=1S/C5H12NO.H2O/c1-5(7)6(2,3)4;/h1-4H3;1H2/q+1;/p-1
InChIKeyOLKZASLJPNECEQ-UHFFFAOYSA-M
MW119.16 g/mol
LogP0.06
Rot. Bonds

About acetyl(trimethyl)azanium hydroxide

acetyl(trimethyl)azanium hydroxide (PubChem CID 22237167) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is acetyl(trimethyl)azanium hydroxide.

Molecular Properties

Compound Nameacetyl(trimethyl)azanium hydroxide
PubChem CID22237167
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Nameacetyl(trimethyl)azanium hydroxide
SMILESCC(=O)[N+](C)(C)C.[OH-]
InChIInChI=1S/C5H12NO.H2O/c1-5(7)6(2,3)4;/h1-4H3;1H2/q+1;/p-1
InChIKeyOLKZASLJPNECEQ-UHFFFAOYSA-M
XLogP0.06
TPSA47.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Dimethylacetamide
CID 31374
N-Methyldiacetamide
CID 14214
N,N-Dimethylacetamide-d9
CID 22789542
N,N-Dimethyl(~13~C_2_)acetamide
CID 71308854
Acetyltrimethylammonium bromide
CID 21377
N,N-Dimethylacetamide--water (1/1)
CID 21534740
Acetamide, N,N-dimethyl-, hydrochloride
CID 523006
N-Methoxymethyl-N-methylacetamide
CID 542250
2-fluoro-N,N-dimethylacetamide
CID 5323646
Acetyl(trimethyl)azanium
CID 21378
N-methyl-N-hydroxymethylacetamide
CID 21945671
N,N,N-Trimethylethanamidium chloride
CID 22572290

Frequently Asked Questions

What is the IUPAC name of acetyl(trimethyl)azanium hydroxide?
The IUPAC name of acetyl(trimethyl)azanium hydroxide (CID 22237167) is acetyl(trimethyl)azanium hydroxide.
What is the SMILES notation for acetyl(trimethyl)azanium hydroxide?
The canonical SMILES for acetyl(trimethyl)azanium hydroxide is CC(=O)[N+](C)(C)C.[OH-].
What is the InChIKey of acetyl(trimethyl)azanium hydroxide?
The InChIKey is OLKZASLJPNECEQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H12NO.H2O/c1-5(7)6(2,3)4;/h1-4H3;1H2/q+1;/p-1.
What are the key properties of acetyl(trimethyl)azanium hydroxide?
acetyl(trimethyl)azanium hydroxide has a molecular weight of 119.16 g/mol, XLogP of 0.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl(trimethyl)azanium hydroxide is sourced from PubChem (CID 22237167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).