1-ethenylimidazole;2-hydroxyethyl 2-methylprop-2-enoate

C11H16N2O3 — CID 70536973

IUPAC1-ethenylimidazole;2-hydroxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCO.C=Cn1ccnc1
InChIInChI=1S/C6H10O3.C5H6N2/c1-5(2)6(8)9-4-3-7;1-2-7-4-3-6-5-7/h7H,1,3-4H2,2H3;2-5H,1H2
InChIKeyXPUQOHPTHMUKFU-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.08
Rot. Bonds4

About 1-ethenylimidazole;2-hydroxyethyl 2-methylprop-2-enoate

1-ethenylimidazole;2-hydroxyethyl 2-methylprop-2-enoate (PubChem CID 70536973) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-ethenylimidazole;2-hydroxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-ethenylimidazole;2-hydroxyethyl 2-methylprop-2-enoate
PubChem CID70536973
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-ethenylimidazole;2-hydroxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCO.C=Cn1ccnc1
InChIInChI=1S/C6H10O3.C5H6N2/c1-5(2)6(8)9-4-3-7;1-2-7-4-3-6-5-7/h7H,1,3-4H2,2H3;2-5H,1H2
InChIKeyXPUQOHPTHMUKFU-UHFFFAOYSA-N
XLogP1.08
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-ethenylimidazole;1-hydroxyethyl 2-methylprop-2-enoate
CID 139906170
2-hydroxyethyl 2-methylprop-2-enoate;octakis(prop-1-ene)
CID 173395322
2-buta-1,3-dien-2-yloxyethanol;2-hydroxyethyl 2-methylprop-2-enoate
CID 163613282
1-ethenylimidazole;4-ethenylpyridine;2-imidazol-1-ylethyl 2-methylprop-2-enoate;2-imidazol-1-ylethyl prop-2-enoate;1-prop-2-enylimidazole
CID 159784719
2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid
CID 162067648
2-hydroxyethyl 2-methylprop-2-enoate;prop-2-enyl acetate
CID 175328029
tetrakis(1-ethenylimidazole);tetrahydrofluoride
CID 173041654
2-hydroxyethyl 2-methylprop-2-enoate;propane-1,1-diol
CID 174925229
1-ethenylimidazole;2-imidazol-1-ylethanol
CID 161193576
2-hydroxyethyl 2-methylprop-2-enoate;nonakis(methyl 2-methylprop-2-enoate)
CID 173405157
2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropan-2-ol
CID 161086625
butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 23051015

Frequently Asked Questions

What is the IUPAC name of 1-ethenylimidazole;2-hydroxyethyl 2-methylprop-2-enoate?
The IUPAC name of 1-ethenylimidazole;2-hydroxyethyl 2-methylprop-2-enoate (CID 70536973) is 1-ethenylimidazole;2-hydroxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-ethenylimidazole;2-hydroxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-ethenylimidazole;2-hydroxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCO.C=Cn1ccnc1.
What is the InChIKey of 1-ethenylimidazole;2-hydroxyethyl 2-methylprop-2-enoate?
The InChIKey is XPUQOHPTHMUKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C5H6N2/c1-5(2)6(8)9-4-3-7;1-2-7-4-3-6-5-7/h7H,1,3-4H2,2H3;2-5H,1H2.
What are the key properties of 1-ethenylimidazole;2-hydroxyethyl 2-methylprop-2-enoate?
1-ethenylimidazole;2-hydroxyethyl 2-methylprop-2-enoate has a molecular weight of 224.26 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylimidazole;2-hydroxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 70536973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).