trimethyl-(2-oxo-1-phenylethyl)azanium

C11H16NO+ — CID 141410240

IUPACtrimethyl-(2-oxo-1-phenylethyl)azanium
SMILESC[N+](C)(C)C(C=O)c1ccccc1
InChIInChI=1S/C11H16NO/c1-12(2,3)11(9-13)10-7-5-4-6-8-10/h4-9,11H,1-3H3/q+1
InChIKeyMNLJZRSNQNHYMV-UHFFFAOYSA-N
MW178.25 g/mol
LogP1.63
Rot. Bonds3

About trimethyl-(2-oxo-1-phenylethyl)azanium

trimethyl-(2-oxo-1-phenylethyl)azanium (PubChem CID 141410240) has the molecular formula C11H16NO+ and a molecular weight of 178.25 g/mol. Its IUPAC name is trimethyl-(2-oxo-1-phenylethyl)azanium.

Molecular Properties

Compound Nametrimethyl-(2-oxo-1-phenylethyl)azanium
PubChem CID141410240
Molecular FormulaC11H16NO+
Molecular Weight178.25 g/mol
Exact Mass178.12
IUPAC Nametrimethyl-(2-oxo-1-phenylethyl)azanium
SMILESC[N+](C)(C)C(C=O)c1ccccc1
InChIInChI=1S/C11H16NO/c1-12(2,3)11(9-13)10-7-5-4-6-8-10/h4-9,11H,1-3H3/q+1
InChIKeyMNLJZRSNQNHYMV-UHFFFAOYSA-N
XLogP1.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze trimethyl-(2-oxo-1-phenylethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl-(1-phenylprop-2-enyl)-propan-2-ylazanium chloride
CID 139432999
2-methyl-3-phenylbutanal
CID 3024886
1,1-dimethoxyethane;2-phenylpropanal
CID 87274023
methanol;2-phenyl-2-sulfanylacetaldehyde
CID 177056526
(2R,3R)-2-fluoro-3-phenylbutanal
CID 134987463
[bromo(phenyl)methyl]-trimethylazanium
CID 174558850
CID 142097895
CID 142097895
trimethyl(1-phenylethyl)azanium;hydroiodide
CID 126959602
(2S)-2-hydroxy-2-phenylacetaldehyde
CID 12536674
(2R)-2-chloro-2-phenylacetaldehyde
CID 92982743
ethane-1,2-diol;bis(2-methylprop-2-enoate);tris(trimethyl(1-phenylprop-2-enyl)azanium);chloride
CID 173013341
ethyl-dimethyl-(1-phenylprop-2-enyl)azanium
CID 22066560

Frequently Asked Questions

What is the IUPAC name of trimethyl-(2-oxo-1-phenylethyl)azanium?
The IUPAC name of trimethyl-(2-oxo-1-phenylethyl)azanium (CID 141410240) is trimethyl-(2-oxo-1-phenylethyl)azanium.
What is the SMILES notation for trimethyl-(2-oxo-1-phenylethyl)azanium?
The canonical SMILES for trimethyl-(2-oxo-1-phenylethyl)azanium is C[N+](C)(C)C(C=O)c1ccccc1.
What is the InChIKey of trimethyl-(2-oxo-1-phenylethyl)azanium?
The InChIKey is MNLJZRSNQNHYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16NO/c1-12(2,3)11(9-13)10-7-5-4-6-8-10/h4-9,11H,1-3H3/q+1.
What are the key properties of trimethyl-(2-oxo-1-phenylethyl)azanium?
trimethyl-(2-oxo-1-phenylethyl)azanium has a molecular weight of 178.25 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(2-oxo-1-phenylethyl)azanium is sourced from PubChem (CID 141410240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).