dimethyl(phenacyloxymethylidene)azanium

C11H14NO2+ — CID 24795646

IUPACdimethyl(phenacyloxymethylidene)azanium
SMILESC[N+](C)=COCC(=O)c1ccccc1
InChIInChI=1S/C11H14NO2/c1-12(2)9-14-8-11(13)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3/q+1
InChIKeyRSELRAVNZLOPFU-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.19
Rot. Bonds4

About dimethyl(phenacyloxymethylidene)azanium

dimethyl(phenacyloxymethylidene)azanium (PubChem CID 24795646) has the molecular formula C11H14NO2+ and a molecular weight of 192.24 g/mol. Its IUPAC name is dimethyl(phenacyloxymethylidene)azanium.

Molecular Properties

Compound Namedimethyl(phenacyloxymethylidene)azanium
PubChem CID24795646
Molecular FormulaC11H14NO2+
Molecular Weight192.24 g/mol
Exact Mass192.10
IUPAC Namedimethyl(phenacyloxymethylidene)azanium
SMILESC[N+](C)=COCC(=O)c1ccccc1
InChIInChI=1S/C11H14NO2/c1-12(2)9-14-8-11(13)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3/q+1
InChIKeyRSELRAVNZLOPFU-UHFFFAOYSA-N
XLogP1.19
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-phenacyloxy-1-phenylethanone
CID 12781821
2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120
1-phenyl(111C)propan-1-one
CID 11159350
O-phenacyl N,N-dimethylcarbamothioate
CID 88793573
methyl phenacyl hydrogen phosphate
CID 151367675
dimethyl-(4-oxo-4-phenylbutan-2-ylidene)azanium
CID 134924771
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
ethane;[2-(4-methylphenyl)-2-oxoethyl] formate;nitrobenzene
CID 162150277
N-(1-phenacyloxyethyl)formamide
CID 57086495
methane;1-phenylpropan-1-one
CID 67638055
1-phenylpropan-1-one;zirconium
CID 173295106

Frequently Asked Questions

What is the IUPAC name of dimethyl(phenacyloxymethylidene)azanium?
The IUPAC name of dimethyl(phenacyloxymethylidene)azanium (CID 24795646) is dimethyl(phenacyloxymethylidene)azanium.
What is the SMILES notation for dimethyl(phenacyloxymethylidene)azanium?
The canonical SMILES for dimethyl(phenacyloxymethylidene)azanium is C[N+](C)=COCC(=O)c1ccccc1.
What is the InChIKey of dimethyl(phenacyloxymethylidene)azanium?
The InChIKey is RSELRAVNZLOPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NO2/c1-12(2)9-14-8-11(13)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3/q+1.
What are the key properties of dimethyl(phenacyloxymethylidene)azanium?
dimethyl(phenacyloxymethylidene)azanium has a molecular weight of 192.24 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(phenacyloxymethylidene)azanium is sourced from PubChem (CID 24795646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).