1-ethenyl-3-ethyl-2H-imidazole;2-methylprop-2-enoic acid;tetrafluoroborate

C11H18BF4N2O2- — CID 174865010

IUPAC1-ethenyl-3-ethyl-2H-imidazole;2-methylprop-2-enoic acid;tetrafluoroborate
SMILESC=C(C)C(=O)O.C=CN1C=CN(CC)C1.F[B-](F)(F)F
InChIInChI=1S/C7H12N2.C4H6O2.BF4/c1-3-8-5-6-9(4-2)7-8;1-3(2)4(5)6;2-1(3,4)5/h3,5-6H,1,4,7H2,2H3;1H2,2H3,(H,5,6);/q;;-1
InChIKeyQOECTCGWUKKCGB-UHFFFAOYSA-N
MW297.08 g/mol
LogP3.14
Rot. Bonds3

About 1-ethenyl-3-ethyl-2H-imidazole;2-methylprop-2-enoic acid;tetrafluoroborate

1-ethenyl-3-ethyl-2H-imidazole;2-methylprop-2-enoic acid;tetrafluoroborate (PubChem CID 174865010) has the molecular formula C11H18BF4N2O2- and a molecular weight of 297.08 g/mol. Its IUPAC name is 1-ethenyl-3-ethyl-2H-imidazole;2-methylprop-2-enoic acid;tetrafluoroborate.

Molecular Properties

Compound Name1-ethenyl-3-ethyl-2H-imidazole;2-methylprop-2-enoic acid;tetrafluoroborate
PubChem CID174865010
Molecular FormulaC11H18BF4N2O2-
Molecular Weight297.08 g/mol
Exact Mass297.14
IUPAC Name1-ethenyl-3-ethyl-2H-imidazole;2-methylprop-2-enoic acid;tetrafluoroborate
SMILESC=C(C)C(=O)O.C=CN1C=CN(CC)C1.F[B-](F)(F)F
InChIInChI=1S/C7H12N2.C4H6O2.BF4/c1-3-8-5-6-9(4-2)7-8;1-3(2)4(5)6;2-1(3,4)5/h3,5-6H,1,4,7H2,2H3;1H2,2H3,(H,5,6);/q;;-1
InChIKeyQOECTCGWUKKCGB-UHFFFAOYSA-N
XLogP3.14
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.08
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 172862570
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CID 175189511
2-(3-ethenyl-2H-imidazol-1-yl)ethanol tetrafluoroborate
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5-(3-ethenyl-2H-imidazol-1-yl)-2-methylpent-2-enoic acid
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CID 175560038
1-ethenyl-3-prop-2-enyl-2H-imidazole;2,2,2-trifluoroacetic acid
CID 174748376
1-decyl-3-ethenyl-2H-imidazole;prop-2-enoic acid;hydrobromide
CID 175052158
1-ethenyl-3-pentyl-2H-imidazole
CID 69347119
acetic acid;1-ethenyl-3-methyl-2H-imidazole
CID 174673019
3-(3-ethenyl-2H-imidazol-1-yl)propyl-triethoxysilane tetrafluoroborate
CID 174058071
1-butyl-3-ethenyl-2H-imidazole;prop-2-enamide;hydrobromide
CID 175485148

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-ethyl-2H-imidazole;2-methylprop-2-enoic acid;tetrafluoroborate?
The IUPAC name of 1-ethenyl-3-ethyl-2H-imidazole;2-methylprop-2-enoic acid;tetrafluoroborate (CID 174865010) is 1-ethenyl-3-ethyl-2H-imidazole;2-methylprop-2-enoic acid;tetrafluoroborate.
What is the SMILES notation for 1-ethenyl-3-ethyl-2H-imidazole;2-methylprop-2-enoic acid;tetrafluoroborate?
The canonical SMILES for 1-ethenyl-3-ethyl-2H-imidazole;2-methylprop-2-enoic acid;tetrafluoroborate is C=C(C)C(=O)O.C=CN1C=CN(CC)C1.F[B-](F)(F)F.
What is the InChIKey of 1-ethenyl-3-ethyl-2H-imidazole;2-methylprop-2-enoic acid;tetrafluoroborate?
The InChIKey is QOECTCGWUKKCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C4H6O2.BF4/c1-3-8-5-6-9(4-2)7-8;1-3(2)4(5)6;2-1(3,4)5/h3,5-6H,1,4,7H2,2H3;1H2,2H3,(H,5,6);/q;;-1.
What are the key properties of 1-ethenyl-3-ethyl-2H-imidazole;2-methylprop-2-enoic acid;tetrafluoroborate?
1-ethenyl-3-ethyl-2H-imidazole;2-methylprop-2-enoic acid;tetrafluoroborate has a molecular weight of 297.08 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-ethyl-2H-imidazole;2-methylprop-2-enoic acid;tetrafluoroborate is sourced from PubChem (CID 174865010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).