trimethyl(2-prop-2-enoyloxyethenyl)azanium

C8H14NO2+ — CID 171617100

IUPACtrimethyl(2-prop-2-enoyloxyethenyl)azanium
SMILESC=CC(=O)OC=C[N+](C)(C)C
InChIInChI=1S/C8H14NO2/c1-5-8(10)11-7-6-9(2,3)4/h5-7H,1H2,2-4H3/q+1
InChIKeyMHUUOKBNADTZGK-UHFFFAOYSA-N
MW156.20 g/mol
LogP0.89
Rot. Bonds3

About trimethyl(2-prop-2-enoyloxyethenyl)azanium

trimethyl(2-prop-2-enoyloxyethenyl)azanium (PubChem CID 171617100) has the molecular formula C8H14NO2+ and a molecular weight of 156.20 g/mol. Its IUPAC name is trimethyl(2-prop-2-enoyloxyethenyl)azanium.

Molecular Properties

Compound Nametrimethyl(2-prop-2-enoyloxyethenyl)azanium
PubChem CID171617100
Molecular FormulaC8H14NO2+
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Nametrimethyl(2-prop-2-enoyloxyethenyl)azanium
SMILESC=CC(=O)OC=C[N+](C)(C)C
InChIInChI=1S/C8H14NO2/c1-5-8(10)11-7-6-9(2,3)4/h5-7H,1H2,2-4H3/q+1
InChIKeyMHUUOKBNADTZGK-UHFFFAOYSA-N
XLogP0.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3-oxoprop-1-enyl prop-2-enoate
CID 54470635
(E)-3-prop-2-enoyloxyprop-2-enoic acid
CID 14647351
(3,3-dihydroxy-3-methoxyprop-1-enyl) prop-2-enoate
CID 175477221
bis(2-prop-2-enoyloxyethenyl) butanedioate
CID 175454697
4-methylpent-1-enyl prop-2-enoate
CID 141310701
trimethyl(prop-2-enoyloxy)azanium bromide
CID 163213351
hex-1-enyl prop-2-enoate
CID 54292849
4-hydroxybut-1-enyl prop-2-enoate
CID 141007650
hept-1-enyl prop-2-enoate
CID 91566435
formyl prop-2-enoate;2-hydroxyethyl(trimethyl)azanium;iodide
CID 174772231
[(E)-2-(2-ethoxyethoxy)ethenyl] prop-2-enoate
CID 164848684
tetradec-1-enyl prop-2-enoate
CID 140580779

Frequently Asked Questions

What is the IUPAC name of trimethyl(2-prop-2-enoyloxyethenyl)azanium?
The IUPAC name of trimethyl(2-prop-2-enoyloxyethenyl)azanium (CID 171617100) is trimethyl(2-prop-2-enoyloxyethenyl)azanium.
What is the SMILES notation for trimethyl(2-prop-2-enoyloxyethenyl)azanium?
The canonical SMILES for trimethyl(2-prop-2-enoyloxyethenyl)azanium is C=CC(=O)OC=C[N+](C)(C)C.
What is the InChIKey of trimethyl(2-prop-2-enoyloxyethenyl)azanium?
The InChIKey is MHUUOKBNADTZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NO2/c1-5-8(10)11-7-6-9(2,3)4/h5-7H,1H2,2-4H3/q+1.
What are the key properties of trimethyl(2-prop-2-enoyloxyethenyl)azanium?
trimethyl(2-prop-2-enoyloxyethenyl)azanium has a molecular weight of 156.20 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2-prop-2-enoyloxyethenyl)azanium is sourced from PubChem (CID 171617100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).