1,1-bis(ethenyl)-3-methyl-2H-imidazol-1-ium

C8H13N2+ — CID 54392902

IUPAC1,1-bis(ethenyl)-3-methyl-2H-imidazol-1-ium
SMILESC=C[N+]1(C=C)C=CN(C)C1
InChIInChI=1S/C8H13N2/c1-4-10(5-2)7-6-9(3)8-10/h4-7H,1-2,8H2,3H3/q+1
InChIKeyHQISDGQGNQNOCV-UHFFFAOYSA-N
MW137.21 g/mol
LogP1.46
Rot. Bonds2

About 1,1-bis(ethenyl)-3-methyl-2H-imidazol-1-ium

1,1-bis(ethenyl)-3-methyl-2H-imidazol-1-ium (PubChem CID 54392902) has the molecular formula C8H13N2+ and a molecular weight of 137.21 g/mol. Its IUPAC name is 1,1-bis(ethenyl)-3-methyl-2H-imidazol-1-ium.

Molecular Properties

Compound Name1,1-bis(ethenyl)-3-methyl-2H-imidazol-1-ium
PubChem CID54392902
Molecular FormulaC8H13N2+
Molecular Weight137.21 g/mol
Exact Mass137.11
IUPAC Name1,1-bis(ethenyl)-3-methyl-2H-imidazol-1-ium
SMILESC=C[N+]1(C=C)C=CN(C)C1
InChIInChI=1S/C8H13N2/c1-4-10(5-2)7-6-9(3)8-10/h4-7H,1-2,8H2,3H3/q+1
InChIKeyHQISDGQGNQNOCV-UHFFFAOYSA-N
XLogP1.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.21
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dimethylimidazole-2-selone
CID 475803
1-Ethenyl-3-methylimidazole-2-selone
CID 56648919
1H-Imidazole, 2,3-dihydro-1,3-dimethyl-
CID 5242259
1,3-Diethyl-2,3-dihydro-1H-imidazole
CID 19358755
1-Vinyl-3-ethyl imidazole
CID 19358762
1-Propyl-3-methylimidazole
CID 21917382
1-Ethyl-2,3-dimethyl-2,3-dihydro-1H-imidazole--hydrogen bromide (1/1)
CID 60196374
1-ethenyl-3-methyl-2H-imidazole
CID 3014750
1-ethyl-3-methyl-2H-imidazole
CID 5245486
Tris(dimethylamino)ethylene
CID 12902159
1,2,3-Trimethyl-imidazole
CID 18006468
1,3-dipropyl-2H-imidazole
CID 19800562

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(ethenyl)-3-methyl-2H-imidazol-1-ium?
The IUPAC name of 1,1-bis(ethenyl)-3-methyl-2H-imidazol-1-ium (CID 54392902) is 1,1-bis(ethenyl)-3-methyl-2H-imidazol-1-ium.
What is the SMILES notation for 1,1-bis(ethenyl)-3-methyl-2H-imidazol-1-ium?
The canonical SMILES for 1,1-bis(ethenyl)-3-methyl-2H-imidazol-1-ium is C=C[N+]1(C=C)C=CN(C)C1.
What is the InChIKey of 1,1-bis(ethenyl)-3-methyl-2H-imidazol-1-ium?
The InChIKey is HQISDGQGNQNOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N2/c1-4-10(5-2)7-6-9(3)8-10/h4-7H,1-2,8H2,3H3/q+1.
What are the key properties of 1,1-bis(ethenyl)-3-methyl-2H-imidazol-1-ium?
1,1-bis(ethenyl)-3-methyl-2H-imidazol-1-ium has a molecular weight of 137.21 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(ethenyl)-3-methyl-2H-imidazol-1-ium is sourced from PubChem (CID 54392902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).