5-ethenyl-2-prop-2-enyl-1H-imidazole

C8H10N2 — CID 67379634

IUPAC5-ethenyl-2-prop-2-enyl-1H-imidazole
SMILESC=CCc1ncc(C=C)[nH]1
InChIInChI=1S/C8H10N2/c1-3-5-8-9-6-7(4-2)10-8/h3-4,6H,1-2,5H2,(H,9,10)
InChIKeyCHQPLQQRCBRREI-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.78
Rot. Bonds3

About 5-ethenyl-2-prop-2-enyl-1H-imidazole

5-ethenyl-2-prop-2-enyl-1H-imidazole (PubChem CID 67379634) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 5-ethenyl-2-prop-2-enyl-1H-imidazole.

Molecular Properties

Compound Name5-ethenyl-2-prop-2-enyl-1H-imidazole
PubChem CID67379634
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name5-ethenyl-2-prop-2-enyl-1H-imidazole
SMILESC=CCc1ncc(C=C)[nH]1
InChIInChI=1S/C8H10N2/c1-3-5-8-9-6-7(4-2)10-8/h3-4,6H,1-2,5H2,(H,9,10)
InChIKeyCHQPLQQRCBRREI-UHFFFAOYSA-N
XLogP1.78
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-prop-2-enyl-1H-imidazole?
The IUPAC name of 5-ethenyl-2-prop-2-enyl-1H-imidazole (CID 67379634) is 5-ethenyl-2-prop-2-enyl-1H-imidazole.
What is the SMILES notation for 5-ethenyl-2-prop-2-enyl-1H-imidazole?
The canonical SMILES for 5-ethenyl-2-prop-2-enyl-1H-imidazole is C=CCc1ncc(C=C)[nH]1.
What is the InChIKey of 5-ethenyl-2-prop-2-enyl-1H-imidazole?
The InChIKey is CHQPLQQRCBRREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-3-5-8-9-6-7(4-2)10-8/h3-4,6H,1-2,5H2,(H,9,10).
What are the key properties of 5-ethenyl-2-prop-2-enyl-1H-imidazole?
5-ethenyl-2-prop-2-enyl-1H-imidazole has a molecular weight of 134.18 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-prop-2-enyl-1H-imidazole is sourced from PubChem (CID 67379634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).