5-methyl-1-prop-2-enylimidazole;hydroiodide

C7H11IN2 — CID 174273806

IUPAC5-methyl-1-prop-2-enylimidazole;hydroiodide
SMILESC=CCn1cncc1C.I
InChIInChI=1S/C7H10N2.HI/c1-3-4-9-6-8-5-7(9)2;/h3,5-6H,1,4H2,2H3;1H
InChIKeyCIGXQGZOQORTTA-UHFFFAOYSA-N
MW250.08 g/mol
LogP2.00
Rot. Bonds2

About 5-methyl-1-prop-2-enylimidazole;hydroiodide

5-methyl-1-prop-2-enylimidazole;hydroiodide (PubChem CID 174273806) has the molecular formula C7H11IN2 and a molecular weight of 250.08 g/mol. Its IUPAC name is 5-methyl-1-prop-2-enylimidazole;hydroiodide.

Molecular Properties

Compound Name5-methyl-1-prop-2-enylimidazole;hydroiodide
PubChem CID174273806
Molecular FormulaC7H11IN2
Molecular Weight250.08 g/mol
Exact Mass250.00
IUPAC Name5-methyl-1-prop-2-enylimidazole;hydroiodide
SMILESC=CCn1cncc1C.I
InChIInChI=1S/C7H10N2.HI/c1-3-4-9-6-8-5-7(9)2;/h3,5-6H,1,4H2,2H3;1H
InChIKeyCIGXQGZOQORTTA-UHFFFAOYSA-N
XLogP2.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-prop-2-enylimidazole;hydroiodide?
The IUPAC name of 5-methyl-1-prop-2-enylimidazole;hydroiodide (CID 174273806) is 5-methyl-1-prop-2-enylimidazole;hydroiodide.
What is the SMILES notation for 5-methyl-1-prop-2-enylimidazole;hydroiodide?
The canonical SMILES for 5-methyl-1-prop-2-enylimidazole;hydroiodide is C=CCn1cncc1C.I.
What is the InChIKey of 5-methyl-1-prop-2-enylimidazole;hydroiodide?
The InChIKey is CIGXQGZOQORTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.HI/c1-3-4-9-6-8-5-7(9)2;/h3,5-6H,1,4H2,2H3;1H.
What are the key properties of 5-methyl-1-prop-2-enylimidazole;hydroiodide?
5-methyl-1-prop-2-enylimidazole;hydroiodide has a molecular weight of 250.08 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-prop-2-enylimidazole;hydroiodide is sourced from PubChem (CID 174273806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).