1-ethenyl-2,2-dimethylimidazol-1-ium

C7H11N2+ — CID 88835938

IUPAC1-ethenyl-2,2-dimethylimidazol-1-ium
SMILESC=C[N+]1=CC=NC1(C)C
InChIInChI=1S/C7H11N2/c1-4-9-6-5-8-7(9,2)3/h4-6H,1H2,2-3H3/q+1
InChIKeyBZHCBVGUGNIDCX-UHFFFAOYSA-N
MW123.18 g/mol
LogP1.03
Rot. Bonds1

About 1-ethenyl-2,2-dimethylimidazol-1-ium

1-ethenyl-2,2-dimethylimidazol-1-ium (PubChem CID 88835938) has the molecular formula C7H11N2+ and a molecular weight of 123.18 g/mol. Its IUPAC name is 1-ethenyl-2,2-dimethylimidazol-1-ium.

Molecular Properties

Compound Name1-ethenyl-2,2-dimethylimidazol-1-ium
PubChem CID88835938
Molecular FormulaC7H11N2+
Molecular Weight123.18 g/mol
Exact Mass123.09
IUPAC Name1-ethenyl-2,2-dimethylimidazol-1-ium
SMILESC=C[N+]1=CC=NC1(C)C
InChIInChI=1S/C7H11N2/c1-4-9-6-5-8-7(9,2)3/h4-6H,1H2,2-3H3/q+1
InChIKeyBZHCBVGUGNIDCX-UHFFFAOYSA-N
XLogP1.03
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.18
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethenyl-2,2-dimethylimidazol-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Dimethylamino-2,5-diazafulvene
CID 10396839
3-Ethenyl-2,4-dihydroimidazole
CID 54420870
3-Prop-1-enyl-2,4-dihydroimidazole
CID 57093595
1,4-Dimethyl-2-methylideneimidazol-1-ium
CID 60108901
3-methyl-2-methylidene-4H-imidazole
CID 67978385
(Z)-2-(ethylideneamino)-N,N-dimethylethenamine
CID 88529839
3-Ethenyl-2-methyl-2,4-dihydroimidazole
CID 90776816
N-ethenyl-2-ethylimino-N-methylethanamine
CID 118026779
Ethylidene-methyl-[2-(methylideneamino)ethenyl]azanium
CID 123365081
2-Ethenyliminoethylidene(dimethyl)azanium
CID 123384146
N-ethenyl-N-methyl-2-methyliminoethanamine
CID 123995998
ethane;3-methyl-2-methylidene-4H-imidazole
CID 144152510

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2,2-dimethylimidazol-1-ium?
The IUPAC name of 1-ethenyl-2,2-dimethylimidazol-1-ium (CID 88835938) is 1-ethenyl-2,2-dimethylimidazol-1-ium.
What is the SMILES notation for 1-ethenyl-2,2-dimethylimidazol-1-ium?
The canonical SMILES for 1-ethenyl-2,2-dimethylimidazol-1-ium is C=C[N+]1=CC=NC1(C)C.
What is the InChIKey of 1-ethenyl-2,2-dimethylimidazol-1-ium?
The InChIKey is BZHCBVGUGNIDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N2/c1-4-9-6-5-8-7(9,2)3/h4-6H,1H2,2-3H3/q+1.
What are the key properties of 1-ethenyl-2,2-dimethylimidazol-1-ium?
1-ethenyl-2,2-dimethylimidazol-1-ium has a molecular weight of 123.18 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2,2-dimethylimidazol-1-ium is sourced from PubChem (CID 88835938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).