1-ethenyl-1-methylimidazolidin-1-ium

C6H13N2+ — CID 66777226

IUPAC1-ethenyl-1-methylimidazolidin-1-ium
SMILESC=C[N+]1(C)CCNC1
InChIInChI=1S/C6H13N2/c1-3-8(2)5-4-7-6-8/h3,7H,1,4-6H2,2H3/q+1
InChIKeyZTRHBINULGSIJH-UHFFFAOYSA-N
MW113.18 g/mol
LogP0.14
Rot. Bonds1

About 1-ethenyl-1-methylimidazolidin-1-ium

1-ethenyl-1-methylimidazolidin-1-ium (PubChem CID 66777226) has the molecular formula C6H13N2+ and a molecular weight of 113.18 g/mol. Its IUPAC name is 1-ethenyl-1-methylimidazolidin-1-ium.

Molecular Properties

Compound Name1-ethenyl-1-methylimidazolidin-1-ium
PubChem CID66777226
Molecular FormulaC6H13N2+
Molecular Weight113.18 g/mol
Exact Mass113.11
IUPAC Name1-ethenyl-1-methylimidazolidin-1-ium
SMILESC=C[N+]1(C)CCNC1
InChIInChI=1S/C6H13N2/c1-3-8(2)5-4-7-6-8/h3,7H,1,4-6H2,2H3/q+1
InChIKeyZTRHBINULGSIJH-UHFFFAOYSA-N
XLogP0.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

Methyleneimidazolidine
CID 22345945
1H-Imidazolium, 1-ethyl-3-methyl-, chloride
CID 66822491
3-(2-Aminoethyl)-1-vinylimidazole
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1,3-Diethyl-2,3-dihydro-1H-imidazol-1-ium bromide
CID 71364770
3-Ethyl-1-methyl-1,2-dihydroimidazol-1-ium
CID 101098827
2,3-Dimethyl-1,2-dihydroimidazole
CID 5250105
1-Ethenylimidazolidine
CID 6850839
1-Ethyl-2,3-dihydro-1H-imidazole
CID 18759384
N-ethyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine
CID 19358898
1-Ethenylimidazolidine-2-thione
CID 19811067
N,N-dimethyl-1-(2-methyl-1,2-dihydroimidazol-3-yl)methanamine
CID 20061494
1-Ethenyl-2-methylimidazolidine
CID 20372723

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-1-methylimidazolidin-1-ium?
The IUPAC name of 1-ethenyl-1-methylimidazolidin-1-ium (CID 66777226) is 1-ethenyl-1-methylimidazolidin-1-ium.
What is the SMILES notation for 1-ethenyl-1-methylimidazolidin-1-ium?
The canonical SMILES for 1-ethenyl-1-methylimidazolidin-1-ium is C=C[N+]1(C)CCNC1.
What is the InChIKey of 1-ethenyl-1-methylimidazolidin-1-ium?
The InChIKey is ZTRHBINULGSIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N2/c1-3-8(2)5-4-7-6-8/h3,7H,1,4-6H2,2H3/q+1.
What are the key properties of 1-ethenyl-1-methylimidazolidin-1-ium?
1-ethenyl-1-methylimidazolidin-1-ium has a molecular weight of 113.18 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-1-methylimidazolidin-1-ium is sourced from PubChem (CID 66777226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).