4-ethenyl-1-methyl-5-prop-1-enylimidazole

C9H12N2 — CID 123206434

IUPAC4-ethenyl-1-methyl-5-prop-1-enylimidazole
SMILESC=Cc1ncn(C)c1C=CC
InChIInChI=1S/C9H12N2/c1-4-6-9-8(5-2)10-7-11(9)3/h4-7H,2H2,1,3H3
InChIKeyHJTMTEDATIPRDN-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.10
Rot. Bonds2

About 4-ethenyl-1-methyl-5-prop-1-enylimidazole

4-ethenyl-1-methyl-5-prop-1-enylimidazole (PubChem CID 123206434) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 4-ethenyl-1-methyl-5-prop-1-enylimidazole.

Molecular Properties

Compound Name4-ethenyl-1-methyl-5-prop-1-enylimidazole
PubChem CID123206434
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name4-ethenyl-1-methyl-5-prop-1-enylimidazole
SMILESC=Cc1ncn(C)c1C=CC
InChIInChI=1S/C9H12N2/c1-4-6-9-8(5-2)10-7-11(9)3/h4-7H,2H2,1,3H3
InChIKeyHJTMTEDATIPRDN-UHFFFAOYSA-N
XLogP2.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-methyl-5-prop-1-enylimidazole?
The IUPAC name of 4-ethenyl-1-methyl-5-prop-1-enylimidazole (CID 123206434) is 4-ethenyl-1-methyl-5-prop-1-enylimidazole.
What is the SMILES notation for 4-ethenyl-1-methyl-5-prop-1-enylimidazole?
The canonical SMILES for 4-ethenyl-1-methyl-5-prop-1-enylimidazole is C=Cc1ncn(C)c1C=CC.
What is the InChIKey of 4-ethenyl-1-methyl-5-prop-1-enylimidazole?
The InChIKey is HJTMTEDATIPRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-4-6-9-8(5-2)10-7-11(9)3/h4-7H,2H2,1,3H3.
What are the key properties of 4-ethenyl-1-methyl-5-prop-1-enylimidazole?
4-ethenyl-1-methyl-5-prop-1-enylimidazole has a molecular weight of 148.21 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-methyl-5-prop-1-enylimidazole is sourced from PubChem (CID 123206434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).