4-ethenyl-1-propylimidazole

C8H12N2 — CID 118166660

IUPAC4-ethenyl-1-propylimidazole
SMILESC=Cc1cn(CCC)cn1
InChIInChI=1S/C8H12N2/c1-3-5-10-6-8(4-2)9-7-10/h4,6-7H,2-3,5H2,1H3
InChIKeyAWAQTGWPMQUCEG-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.94
Rot. Bonds3

About 4-ethenyl-1-propylimidazole

4-ethenyl-1-propylimidazole (PubChem CID 118166660) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 4-ethenyl-1-propylimidazole.

Molecular Properties

Compound Name4-ethenyl-1-propylimidazole
PubChem CID118166660
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name4-ethenyl-1-propylimidazole
SMILESC=Cc1cn(CCC)cn1
InChIInChI=1S/C8H12N2/c1-3-5-10-6-8(4-2)9-7-10/h4,6-7H,2-3,5H2,1H3
InChIKeyAWAQTGWPMQUCEG-UHFFFAOYSA-N
XLogP1.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-propylimidazole?
The IUPAC name of 4-ethenyl-1-propylimidazole (CID 118166660) is 4-ethenyl-1-propylimidazole.
What is the SMILES notation for 4-ethenyl-1-propylimidazole?
The canonical SMILES for 4-ethenyl-1-propylimidazole is C=Cc1cn(CCC)cn1.
What is the InChIKey of 4-ethenyl-1-propylimidazole?
The InChIKey is AWAQTGWPMQUCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-5-10-6-8(4-2)9-7-10/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 4-ethenyl-1-propylimidazole?
4-ethenyl-1-propylimidazole has a molecular weight of 136.20 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-propylimidazole is sourced from PubChem (CID 118166660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).