1-ethenyl-2,3-dimethylimidazolidin-1-ium chloride

C7H15ClN2 — CID 66956307

IUPAC1-ethenyl-2,3-dimethylimidazolidin-1-ium chloride
SMILESC=C[NH+]1CCN(C)C1C.[Cl-]
InChIInChI=1S/C7H14N2.ClH/c1-4-9-6-5-8(3)7(9)2;/h4,7H,1,5-6H2,2-3H3;1H
InChIKeyHTJPXZLCIQAUTM-UHFFFAOYSA-N
MW162.66 g/mol
LogP-3.69
Rot. Bonds1

About 1-ethenyl-2,3-dimethylimidazolidin-1-ium chloride

1-ethenyl-2,3-dimethylimidazolidin-1-ium chloride (PubChem CID 66956307) has the molecular formula C7H15ClN2 and a molecular weight of 162.66 g/mol. Its IUPAC name is 1-ethenyl-2,3-dimethylimidazolidin-1-ium chloride.

Molecular Properties

Compound Name1-ethenyl-2,3-dimethylimidazolidin-1-ium chloride
PubChem CID66956307
Molecular FormulaC7H15ClN2
Molecular Weight162.66 g/mol
Exact Mass162.09
IUPAC Name1-ethenyl-2,3-dimethylimidazolidin-1-ium chloride
SMILESC=C[NH+]1CCN(C)C1C.[Cl-]
InChIInChI=1S/C7H14N2.ClH/c1-4-9-6-5-8(3)7(9)2;/h4,7H,1,5-6H2,2-3H3;1H
InChIKeyHTJPXZLCIQAUTM-UHFFFAOYSA-N
XLogP-3.69
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 5-3.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1H-Imidazolium, 1-ethyl-3-methyl-, chloride
CID 66822491
1-Ethyl-2,3-dimethyl-2,3-dihydro-1H-imidazol-1-ium iodide
CID 71343489
1-Ethyl-2,3-dimethyl-2,3-dihydro-1H-imidazol-1-ium fluoride
CID 71385706
1-Ethenylimidazolidine
CID 6850839
N-ethyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine
CID 19358898
1-Ethenyl-2-methylimidazolidine
CID 20372723
3-Ethyl-2-methyl-1,2-dihydroimidazole
CID 21079514
1-Ethenyl-2-ethylimidazolidine
CID 53779755
1-Ethenyl-2-propylimidazolidine
CID 53847391
2-Methylidene-1-propan-2-ylimidazolidine
CID 59103365
1-Methyl-2-methylideneimidazolidine
CID 60022444
N-ethenylimidazolidin-2-amine
CID 66735381

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2,3-dimethylimidazolidin-1-ium chloride?
The IUPAC name of 1-ethenyl-2,3-dimethylimidazolidin-1-ium chloride (CID 66956307) is 1-ethenyl-2,3-dimethylimidazolidin-1-ium chloride.
What is the SMILES notation for 1-ethenyl-2,3-dimethylimidazolidin-1-ium chloride?
The canonical SMILES for 1-ethenyl-2,3-dimethylimidazolidin-1-ium chloride is C=C[NH+]1CCN(C)C1C.[Cl-].
What is the InChIKey of 1-ethenyl-2,3-dimethylimidazolidin-1-ium chloride?
The InChIKey is HTJPXZLCIQAUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.ClH/c1-4-9-6-5-8(3)7(9)2;/h4,7H,1,5-6H2,2-3H3;1H.
What are the key properties of 1-ethenyl-2,3-dimethylimidazolidin-1-ium chloride?
1-ethenyl-2,3-dimethylimidazolidin-1-ium chloride has a molecular weight of 162.66 g/mol, XLogP of -3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2,3-dimethylimidazolidin-1-ium chloride is sourced from PubChem (CID 66956307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).