3-ethenyl-2-prop-2-enyl-1H-imidazol-3-ium

C8H11N2+ — CID 66665707

IUPAC3-ethenyl-2-prop-2-enyl-1H-imidazol-3-ium
SMILESC=CCc1[nH]cc[n+]1C=C
InChIInChI=1S/C8H10N2/c1-3-5-8-9-6-7-10(8)4-2/h3-4,6-7H,1-2,5H2/p+1
InChIKeyTYFHCFQRSGONNK-UHFFFAOYSA-O
MW135.19 g/mol
LogP1.13
Rot. Bonds3

About 3-ethenyl-2-prop-2-enyl-1H-imidazol-3-ium

3-ethenyl-2-prop-2-enyl-1H-imidazol-3-ium (PubChem CID 66665707) has the molecular formula C8H11N2+ and a molecular weight of 135.19 g/mol. Its IUPAC name is 3-ethenyl-2-prop-2-enyl-1H-imidazol-3-ium.

Molecular Properties

Compound Name3-ethenyl-2-prop-2-enyl-1H-imidazol-3-ium
PubChem CID66665707
Molecular FormulaC8H11N2+
Molecular Weight135.19 g/mol
Exact Mass135.09
IUPAC Name3-ethenyl-2-prop-2-enyl-1H-imidazol-3-ium
SMILESC=CCc1[nH]cc[n+]1C=C
InChIInChI=1S/C8H10N2/c1-3-5-8-9-6-7-10(8)4-2/h3-4,6-7H,1-2,5H2/p+1
InChIKeyTYFHCFQRSGONNK-UHFFFAOYSA-O
XLogP1.13
TPSA19.67 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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 3-ethenyl-2-prop-2-enyl-1H-imidazol-3-ium?
The IUPAC name of 3-ethenyl-2-prop-2-enyl-1H-imidazol-3-ium (CID 66665707) is 3-ethenyl-2-prop-2-enyl-1H-imidazol-3-ium.
What is the SMILES notation for 3-ethenyl-2-prop-2-enyl-1H-imidazol-3-ium?
The canonical SMILES for 3-ethenyl-2-prop-2-enyl-1H-imidazol-3-ium is C=CCc1[nH]cc[n+]1C=C.
What is the InChIKey of 3-ethenyl-2-prop-2-enyl-1H-imidazol-3-ium?
The InChIKey is TYFHCFQRSGONNK-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H10N2/c1-3-5-8-9-6-7-10(8)4-2/h3-4,6-7H,1-2,5H2/p+1.
What are the key properties of 3-ethenyl-2-prop-2-enyl-1H-imidazol-3-ium?
3-ethenyl-2-prop-2-enyl-1H-imidazol-3-ium has a molecular weight of 135.19 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-prop-2-enyl-1H-imidazol-3-ium is sourced from PubChem (CID 66665707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).