5-ethenyl-1-prop-2-enylimidazole

C8H10N2 — CID 45087580

IUPAC5-ethenyl-1-prop-2-enylimidazole
SMILESC=CCn1cncc1C=C
InChIInChI=1S/C8H10N2/c1-3-5-10-7-9-6-8(10)4-2/h3-4,6-7H,1-2,5H2
InChIKeyAOILSTWHMSRZQP-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.71
Rot. Bonds3

About 5-ethenyl-1-prop-2-enylimidazole

5-ethenyl-1-prop-2-enylimidazole (PubChem CID 45087580) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 5-ethenyl-1-prop-2-enylimidazole.

Molecular Properties

Compound Name5-ethenyl-1-prop-2-enylimidazole
PubChem CID45087580
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name5-ethenyl-1-prop-2-enylimidazole
SMILESC=CCn1cncc1C=C
InChIInChI=1S/C8H10N2/c1-3-5-10-7-9-6-8(10)4-2/h3-4,6-7H,1-2,5H2
InChIKeyAOILSTWHMSRZQP-UHFFFAOYSA-N
XLogP1.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-ethenyl-1-prop-2-enylimidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1-prop-2-enylimidazole?
The IUPAC name of 5-ethenyl-1-prop-2-enylimidazole (CID 45087580) is 5-ethenyl-1-prop-2-enylimidazole.
What is the SMILES notation for 5-ethenyl-1-prop-2-enylimidazole?
The canonical SMILES for 5-ethenyl-1-prop-2-enylimidazole is C=CCn1cncc1C=C.
What is the InChIKey of 5-ethenyl-1-prop-2-enylimidazole?
The InChIKey is AOILSTWHMSRZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-3-5-10-7-9-6-8(10)4-2/h3-4,6-7H,1-2,5H2.
What are the key properties of 5-ethenyl-1-prop-2-enylimidazole?
5-ethenyl-1-prop-2-enylimidazole has a molecular weight of 134.18 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1-prop-2-enylimidazole is sourced from PubChem (CID 45087580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).