(4-acetylphenyl)methyl-trimethylazanium

C12H18NO+ — CID 4054341

IUPAC(4-acetylphenyl)methyl-trimethylazanium
SMILESCC(=O)c1ccc(C[N+](C)(C)C)cc1
InChIInChI=1S/C12H18NO/c1-10(14)12-7-5-11(6-8-12)9-13(2,3)4/h5-8H,9H2,1-4H3/q+1
InChIKeyOKOYPYSDVQITNZ-UHFFFAOYSA-N
MW192.28 g/mol
LogP2.10
Rot. Bonds3

About (4-acetylphenyl)methyl-trimethylazanium

(4-acetylphenyl)methyl-trimethylazanium (PubChem CID 4054341) has the molecular formula C12H18NO+ and a molecular weight of 192.28 g/mol. Its IUPAC name is (4-acetylphenyl)methyl-trimethylazanium.

Molecular Properties

Compound Name(4-acetylphenyl)methyl-trimethylazanium
PubChem CID4054341
Molecular FormulaC12H18NO+
Molecular Weight192.28 g/mol
Exact Mass192.14
IUPAC Name(4-acetylphenyl)methyl-trimethylazanium
SMILESCC(=O)c1ccc(C[N+](C)(C)C)cc1
InChIInChI=1S/C12H18NO/c1-10(14)12-7-5-11(6-8-12)9-13(2,3)4/h5-8H,9H2,1-4H3/q+1
InChIKeyOKOYPYSDVQITNZ-UHFFFAOYSA-N
XLogP2.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-carbonochloridoylphenyl)methyl-trimethylazanium
CID 59290041
[4-(hydrazinecarbonyl)phenyl]methyl-trimethylazanium bromide
CID 171634573
[4-(2-aminoacetyl)phenyl]methyl-trimethylazanium bromide
CID 170860760
(4-benzoylphenyl)methyl-trimethylazanium;propane;chloride
CID 174849581
1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-(4-ethylphenyl)ethanone;formaldehyde
CID 143666715
1-[4-(2-iodoethyl)phenyl]ethanone
CID 18402562
1-[4-[4-(4-ethylphenyl)phenyl]phenyl]ethanone
CID 24807530
1-[4-(2,2-dimethylpropyl)phenyl]ethanone
CID 20645073
2-(4-acetylphenyl)acetyl chloride
CID 19746515
1-[4-[4-[4-(methoxymethyl)phenyl]phenyl]phenyl]ethanone
CID 71344884
(4-acetylphenyl)methylimino-methylideneazanium
CID 143608157

Frequently Asked Questions

What is the IUPAC name of (4-acetylphenyl)methyl-trimethylazanium?
The IUPAC name of (4-acetylphenyl)methyl-trimethylazanium (CID 4054341) is (4-acetylphenyl)methyl-trimethylazanium.
What is the SMILES notation for (4-acetylphenyl)methyl-trimethylazanium?
The canonical SMILES for (4-acetylphenyl)methyl-trimethylazanium is CC(=O)c1ccc(C[N+](C)(C)C)cc1.
What is the InChIKey of (4-acetylphenyl)methyl-trimethylazanium?
The InChIKey is OKOYPYSDVQITNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18NO/c1-10(14)12-7-5-11(6-8-12)9-13(2,3)4/h5-8H,9H2,1-4H3/q+1.
What are the key properties of (4-acetylphenyl)methyl-trimethylazanium?
(4-acetylphenyl)methyl-trimethylazanium has a molecular weight of 192.28 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetylphenyl)methyl-trimethylazanium is sourced from PubChem (CID 4054341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).