2-acetyloxyethyl(trimethyl)azanium

C7H16NO2+ — CID 187

IUPAC2-acetyloxyethyl(trimethyl)azanium
SMILESCC(=O)OCC[N+](C)(C)C
InChIInChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
InChIKeyOIPILFWXSMYKGL-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.26
Rot. Bonds3

About 2-acetyloxyethyl(trimethyl)azanium

2-acetyloxyethyl(trimethyl)azanium (PubChem CID 187) has the molecular formula C7H16NO2+ and a molecular weight of 146.21 g/mol. Its IUPAC name is 2-acetyloxyethyl(trimethyl)azanium.

Molecular Properties

Compound Name2-acetyloxyethyl(trimethyl)azanium
PubChem CID187
Molecular FormulaC7H16NO2+
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name2-acetyloxyethyl(trimethyl)azanium
SMILESCC(=O)OCC[N+](C)(C)C
InChIInChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
InChIKeyOIPILFWXSMYKGL-UHFFFAOYSA-N
XLogP0.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.26
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

Acetylcholine Chloride
CID 6060
Methacholine
CID 1993
Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, perchlorate (1:1)
CID 93565
Acetylcholine Bromide
CID 65551
Acetylcholine Iodide
CID 75271
Dimethylaminoethyl acetate
CID 15013
Glycine, N,N-dimethyl-, methyl ester
CID 81569
Glycine, N,N-dimethyl-, ethyl ester
CID 118412
Ethanol, 2,2',2''-nitrilotris-, 1,1',1''-triacetate
CID 76352
Ethanaminium, N,N,N-trimethyl-2-(1-oxopropoxy)-, iodide (1:1)
CID 75611
Glycine, N,N-diethyl-, ethyl ester
CID 75843
Butyrylcholine
CID 17233

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxyethyl(trimethyl)azanium?
The IUPAC name of 2-acetyloxyethyl(trimethyl)azanium (CID 187) is 2-acetyloxyethyl(trimethyl)azanium.
What is the SMILES notation for 2-acetyloxyethyl(trimethyl)azanium?
The canonical SMILES for 2-acetyloxyethyl(trimethyl)azanium is CC(=O)OCC[N+](C)(C)C.
What is the InChIKey of 2-acetyloxyethyl(trimethyl)azanium?
The InChIKey is OIPILFWXSMYKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1.
What are the key properties of 2-acetyloxyethyl(trimethyl)azanium?
2-acetyloxyethyl(trimethyl)azanium has a molecular weight of 146.21 g/mol, XLogP of 0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxyethyl(trimethyl)azanium is sourced from PubChem (CID 187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).