1-methyl-2-prop-1-en-2-ylimidazole

C7H10N2 — CID 14531576

IUPAC1-methyl-2-prop-1-en-2-ylimidazole
SMILESC=C(C)c1nccn1C
InChIInChI=1S/C7H10N2/c1-6(2)7-8-4-5-9(7)3/h4-5H,1H2,2-3H3
InChIKeyGTFRXUGXAAINAF-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.45
Rot. Bonds1

About 1-methyl-2-prop-1-en-2-ylimidazole

1-methyl-2-prop-1-en-2-ylimidazole (PubChem CID 14531576) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 1-methyl-2-prop-1-en-2-ylimidazole.

Molecular Properties

Compound Name1-methyl-2-prop-1-en-2-ylimidazole
PubChem CID14531576
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name1-methyl-2-prop-1-en-2-ylimidazole
SMILESC=C(C)c1nccn1C
InChIInChI=1S/C7H10N2/c1-6(2)7-8-4-5-9(7)3/h4-5H,1H2,2-3H3
InChIKeyGTFRXUGXAAINAF-UHFFFAOYSA-N
XLogP1.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-prop-1-en-2-ylimidazole?
The IUPAC name of 1-methyl-2-prop-1-en-2-ylimidazole (CID 14531576) is 1-methyl-2-prop-1-en-2-ylimidazole.
What is the SMILES notation for 1-methyl-2-prop-1-en-2-ylimidazole?
The canonical SMILES for 1-methyl-2-prop-1-en-2-ylimidazole is C=C(C)c1nccn1C.
What is the InChIKey of 1-methyl-2-prop-1-en-2-ylimidazole?
The InChIKey is GTFRXUGXAAINAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-6(2)7-8-4-5-9(7)3/h4-5H,1H2,2-3H3.
What are the key properties of 1-methyl-2-prop-1-en-2-ylimidazole?
1-methyl-2-prop-1-en-2-ylimidazole has a molecular weight of 122.17 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-prop-1-en-2-ylimidazole is sourced from PubChem (CID 14531576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).