1-ethenylimidazole;methyl 2-methylprop-2-enoate

C10H14N2O2 — CID 70426710

IUPAC1-ethenylimidazole;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=Cn1ccnc1
InChIInChI=1S/C5H6N2.C5H8O2/c1-2-7-4-3-6-5-7;1-4(2)5(6)7-3/h2-5H,1H2;1H2,2-3H3
InChIKeyWZMMWIHVTZBAMO-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.72
Rot. Bonds2

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

1-ethenylimidazole;methyl 2-methylprop-2-enoate (PubChem CID 70426710) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-ethenylimidazole;methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-ethenylimidazole;methyl 2-methylprop-2-enoate
PubChem CID70426710
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-ethenylimidazole;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=Cn1ccnc1
InChIInChI=1S/C5H6N2.C5H8O2/c1-2-7-4-3-6-5-7;1-4(2)5(6)7-3/h2-5H,1H2;1H2,2-3H3
InChIKeyWZMMWIHVTZBAMO-UHFFFAOYSA-N
XLogP1.72
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylimidazole;methyl 2-methylprop-2-enoate?
The IUPAC name of 1-ethenylimidazole;methyl 2-methylprop-2-enoate (CID 70426710) is 1-ethenylimidazole;methyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-ethenylimidazole;methyl 2-methylprop-2-enoate?
The canonical SMILES for 1-ethenylimidazole;methyl 2-methylprop-2-enoate is C=C(C)C(=O)OC.C=Cn1ccnc1.
What is the InChIKey of 1-ethenylimidazole;methyl 2-methylprop-2-enoate?
The InChIKey is WZMMWIHVTZBAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2.C5H8O2/c1-2-7-4-3-6-5-7;1-4(2)5(6)7-3/h2-5H,1H2;1H2,2-3H3.
What are the key properties of 1-ethenylimidazole;methyl 2-methylprop-2-enoate?
1-ethenylimidazole;methyl 2-methylprop-2-enoate has a molecular weight of 194.23 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylimidazole;methyl 2-methylprop-2-enoate is sourced from PubChem (CID 70426710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).