1-methyl-3-prop-2-enylimidazol-1-ium fluoride

C7H11FN2 — CID 87633568

IUPAC1-methyl-3-prop-2-enylimidazol-1-ium fluoride
SMILESC=CCn1cc[n+](C)c1.[F-]
InChIInChI=1S/C7H11N2.FH/c1-3-4-9-6-5-8(2)7-9;/h3,5-7H,1,4H2,2H3;1H/q+1;/p-1
InChIKeySORGVEWMXXFQLP-UHFFFAOYSA-M
MW142.18 g/mol
LogP-2.50
Rot. Bonds2

About 1-methyl-3-prop-2-enylimidazol-1-ium fluoride

1-methyl-3-prop-2-enylimidazol-1-ium fluoride (PubChem CID 87633568) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is 1-methyl-3-prop-2-enylimidazol-1-ium fluoride.

Molecular Properties

Compound Name1-methyl-3-prop-2-enylimidazol-1-ium fluoride
PubChem CID87633568
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name1-methyl-3-prop-2-enylimidazol-1-ium fluoride
SMILESC=CCn1cc[n+](C)c1.[F-]
InChIInChI=1S/C7H11N2.FH/c1-3-4-9-6-5-8(2)7-9;/h3,5-7H,1,4H2,2H3;1H/q+1;/p-1
InChIKeySORGVEWMXXFQLP-UHFFFAOYSA-M
XLogP-2.50
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 5-2.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-prop-2-enylimidazol-1-ium fluoride?
The IUPAC name of 1-methyl-3-prop-2-enylimidazol-1-ium fluoride (CID 87633568) is 1-methyl-3-prop-2-enylimidazol-1-ium fluoride.
What is the SMILES notation for 1-methyl-3-prop-2-enylimidazol-1-ium fluoride?
The canonical SMILES for 1-methyl-3-prop-2-enylimidazol-1-ium fluoride is C=CCn1cc[n+](C)c1.[F-].
What is the InChIKey of 1-methyl-3-prop-2-enylimidazol-1-ium fluoride?
The InChIKey is SORGVEWMXXFQLP-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H11N2.FH/c1-3-4-9-6-5-8(2)7-9;/h3,5-7H,1,4H2,2H3;1H/q+1;/p-1.
What are the key properties of 1-methyl-3-prop-2-enylimidazol-1-ium fluoride?
1-methyl-3-prop-2-enylimidazol-1-ium fluoride has a molecular weight of 142.18 g/mol, XLogP of -2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-prop-2-enylimidazol-1-ium fluoride is sourced from PubChem (CID 87633568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).