2-prop-2-enyl-1H-imidazole

C6H8N2 — CID 10057459

IUPAC2-prop-2-enyl-1H-imidazole
SMILESC=CCc1ncc[nH]1
InChIInChI=1S/C6H8N2/c1-2-3-6-7-4-5-8-6/h2,4-5H,1,3H2,(H,7,8)
InChIKeyWFGGATFAWQWKRI-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.14
Rot. Bonds2

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

2-prop-2-enyl-1H-imidazole (PubChem CID 10057459) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 2-prop-2-enyl-1H-imidazole.

Molecular Properties

Compound Name2-prop-2-enyl-1H-imidazole
PubChem CID10057459
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name2-prop-2-enyl-1H-imidazole
SMILESC=CCc1ncc[nH]1
InChIInChI=1S/C6H8N2/c1-2-3-6-7-4-5-8-6/h2,4-5H,1,3H2,(H,7,8)
InChIKeyWFGGATFAWQWKRI-UHFFFAOYSA-N
XLogP1.14
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.14
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 2-prop-2-enyl-1H-imidazole?
The IUPAC name of 2-prop-2-enyl-1H-imidazole (CID 10057459) is 2-prop-2-enyl-1H-imidazole.
What is the SMILES notation for 2-prop-2-enyl-1H-imidazole?
The canonical SMILES for 2-prop-2-enyl-1H-imidazole is C=CCc1ncc[nH]1.
What is the InChIKey of 2-prop-2-enyl-1H-imidazole?
The InChIKey is WFGGATFAWQWKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-2-3-6-7-4-5-8-6/h2,4-5H,1,3H2,(H,7,8).
What are the key properties of 2-prop-2-enyl-1H-imidazole?
2-prop-2-enyl-1H-imidazole has a molecular weight of 108.14 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-1H-imidazole is sourced from PubChem (CID 10057459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).