1-methyl-2-prop-2-enylimidazole

C7H10N2 — CID 54215967

IUPAC1-methyl-2-prop-2-enylimidazole
SMILESC=CCc1nccn1C
InChIInChI=1S/C7H10N2/c1-3-4-7-8-5-6-9(7)2/h3,5-6H,1,4H2,2H3
InChIKeyJCZRGHOQRICMFX-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.15
Rot. Bonds2

About 1-methyl-2-prop-2-enylimidazole

1-methyl-2-prop-2-enylimidazole (PubChem CID 54215967) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 1-methyl-2-prop-2-enylimidazole.

Molecular Properties

Compound Name1-methyl-2-prop-2-enylimidazole
PubChem CID54215967
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name1-methyl-2-prop-2-enylimidazole
SMILESC=CCc1nccn1C
InChIInChI=1S/C7H10N2/c1-3-4-7-8-5-6-9(7)2/h3,5-6H,1,4H2,2H3
InChIKeyJCZRGHOQRICMFX-UHFFFAOYSA-N
XLogP1.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-prop-2-enylimidazole?
The IUPAC name of 1-methyl-2-prop-2-enylimidazole (CID 54215967) is 1-methyl-2-prop-2-enylimidazole.
What is the SMILES notation for 1-methyl-2-prop-2-enylimidazole?
The canonical SMILES for 1-methyl-2-prop-2-enylimidazole is C=CCc1nccn1C.
What is the InChIKey of 1-methyl-2-prop-2-enylimidazole?
The InChIKey is JCZRGHOQRICMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-3-4-7-8-5-6-9(7)2/h3,5-6H,1,4H2,2H3.
What are the key properties of 1-methyl-2-prop-2-enylimidazole?
1-methyl-2-prop-2-enylimidazole has a molecular weight of 122.17 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-prop-2-enylimidazole is sourced from PubChem (CID 54215967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).