2-(4-phenylpyridin-1-ium-1-yl)oxyethyl 2-methylprop-2-enoate

C17H18NO3+ — CID 59705426

IUPAC2-(4-phenylpyridin-1-ium-1-yl)oxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCO[n+]1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H18NO3/c1-14(2)17(19)20-12-13-21-18-10-8-16(9-11-18)15-6-4-3-5-7-15/h3-11H,1,12-13H2,2H3/q+1
InChIKeySKSGGGVKCYWQNY-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.19
Rot. Bonds6

About 2-(4-phenylpyridin-1-ium-1-yl)oxyethyl 2-methylprop-2-enoate

2-(4-phenylpyridin-1-ium-1-yl)oxyethyl 2-methylprop-2-enoate (PubChem CID 59705426) has the molecular formula C17H18NO3+ and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-(4-phenylpyridin-1-ium-1-yl)oxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(4-phenylpyridin-1-ium-1-yl)oxyethyl 2-methylprop-2-enoate
PubChem CID59705426
Molecular FormulaC17H18NO3+
Molecular Weight284.34 g/mol
Exact Mass284.13
IUPAC Name2-(4-phenylpyridin-1-ium-1-yl)oxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCO[n+]1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H18NO3/c1-14(2)17(19)20-12-13-21-18-10-8-16(9-11-18)15-6-4-3-5-7-15/h3-11H,1,12-13H2,2H3/q+1
InChIKeySKSGGGVKCYWQNY-UHFFFAOYSA-N
XLogP2.19
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
2-[4-[1-(2-phenylmethoxyethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethyl 2-methylprop-2-enoate
CID 20607694
2-(2-methylprop-2-enoyloxy)ethyl 4-(2-phenylphenyl)benzoate
CID 174745989
2-diphenylsilyloxyethyl 2-methylprop-2-enoate
CID 174754381
4-phenylbutyl 2-methylprop-2-enoate
CID 22507477
CID 175978198
CID 175978198
(4-phenylphenyl) 6-(2-methylprop-2-enoyloxy)hexanoate
CID 171768260
2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 21252575
2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-3-phenylprop-2-enoate
CID 70124649
[3-(2,3-diphenylcycloprop-2-en-1-yl)-3-oxopropyl] 2-methylprop-2-enoate
CID 122530240
5-(2-phenylphenyl)pentyl 2-methylprop-2-enoate
CID 171768668
benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpyridin-1-ium-1-yl)oxyethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(4-phenylpyridin-1-ium-1-yl)oxyethyl 2-methylprop-2-enoate (CID 59705426) is 2-(4-phenylpyridin-1-ium-1-yl)oxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(4-phenylpyridin-1-ium-1-yl)oxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(4-phenylpyridin-1-ium-1-yl)oxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCO[n+]1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(4-phenylpyridin-1-ium-1-yl)oxyethyl 2-methylprop-2-enoate?
The InChIKey is SKSGGGVKCYWQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18NO3/c1-14(2)17(19)20-12-13-21-18-10-8-16(9-11-18)15-6-4-3-5-7-15/h3-11H,1,12-13H2,2H3/q+1.
What are the key properties of 2-(4-phenylpyridin-1-ium-1-yl)oxyethyl 2-methylprop-2-enoate?
2-(4-phenylpyridin-1-ium-1-yl)oxyethyl 2-methylprop-2-enoate has a molecular weight of 284.34 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpyridin-1-ium-1-yl)oxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 59705426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).