1-prop-1-en-2-ylimidazole

C6H8N2 — CID 12647617

IUPAC1-prop-1-en-2-ylimidazole
SMILESC=C(C)n1ccnc1
InChIInChI=1S/C6H8N2/c1-6(2)8-4-3-7-5-8/h3-5H,1H2,2H3
InChIKeyJYNTXBHPLISXTA-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.37
Rot. Bonds1

About 1-prop-1-en-2-ylimidazole

1-prop-1-en-2-ylimidazole (PubChem CID 12647617) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 1-prop-1-en-2-ylimidazole.

Molecular Properties

Compound Name1-prop-1-en-2-ylimidazole
PubChem CID12647617
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name1-prop-1-en-2-ylimidazole
SMILESC=C(C)n1ccnc1
InChIInChI=1S/C6H8N2/c1-6(2)8-4-3-7-5-8/h3-5H,1H2,2H3
InChIKeyJYNTXBHPLISXTA-UHFFFAOYSA-N
XLogP1.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-prop-1-en-2-ylimidazole?
The IUPAC name of 1-prop-1-en-2-ylimidazole (CID 12647617) is 1-prop-1-en-2-ylimidazole.
What is the SMILES notation for 1-prop-1-en-2-ylimidazole?
The canonical SMILES for 1-prop-1-en-2-ylimidazole is C=C(C)n1ccnc1.
What is the InChIKey of 1-prop-1-en-2-ylimidazole?
The InChIKey is JYNTXBHPLISXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-6(2)8-4-3-7-5-8/h3-5H,1H2,2H3.
What are the key properties of 1-prop-1-en-2-ylimidazole?
1-prop-1-en-2-ylimidazole has a molecular weight of 108.14 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-ylimidazole is sourced from PubChem (CID 12647617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).