1-ethenyl-3-prop-1-enyl-2H-imidazole

C8H12N2 — CID 159199866

IUPAC1-ethenyl-3-prop-1-enyl-2H-imidazole
SMILESC=CN1C=CN(C=CC)C1
InChIInChI=1S/C8H12N2/c1-3-5-10-7-6-9(4-2)8-10/h3-7H,2,8H2,1H3
InChIKeyKPDNLSBMZNDTTG-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.71
Rot. Bonds2

About 1-ethenyl-3-prop-1-enyl-2H-imidazole

1-ethenyl-3-prop-1-enyl-2H-imidazole (PubChem CID 159199866) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1-ethenyl-3-prop-1-enyl-2H-imidazole.

Molecular Properties

Compound Name1-ethenyl-3-prop-1-enyl-2H-imidazole
PubChem CID159199866
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1-ethenyl-3-prop-1-enyl-2H-imidazole
SMILESC=CN1C=CN(C=CC)C1
InChIInChI=1S/C8H12N2/c1-3-5-10-7-6-9(4-2)8-10/h3-7H,2,8H2,1H3
InChIKeyKPDNLSBMZNDTTG-UHFFFAOYSA-N
XLogP1.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis(ethenyl)-2H-imidazole;hydrochloride
CID 175397950
1-ethenyl-3-ethyl-2H-imidazole;hydrobromide
CID 172862570
1-ethenyl-3-ethyl-2H-imidazole;hydroiodide
CID 173227414
acetic acid;1-ethenyl-3-methyl-2H-imidazole
CID 174673019
1-ethenyl-3-[(3-ethenyl-2H-imidazol-1-yl)methyl]-2H-imidazole;1-ethenyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole
CID 162277531
3-ethenyl-N-ethyl-2H-imidazol-1-amine;dihydrobromide
CID 174939512
1-ethenyl-3-(1-methoxyethyl)-2H-imidazole
CID 175359883
1-ethenyl-3-(4-methylphenyl)-2H-imidazole;hydrochloride
CID 175397918
1-butan-2-yl-3-ethenyl-2H-imidazole;hydrochloride
CID 175397931
1-ethenyl-3-pentyl-2H-imidazole
CID 69347119
methyl 3-ethenyl-2H-imidazole-1-carboxylate
CID 170944122
1-[(E)-prop-1-enyl]-2H-pyridine
CID 87090241

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-prop-1-enyl-2H-imidazole?
The IUPAC name of 1-ethenyl-3-prop-1-enyl-2H-imidazole (CID 159199866) is 1-ethenyl-3-prop-1-enyl-2H-imidazole.
What is the SMILES notation for 1-ethenyl-3-prop-1-enyl-2H-imidazole?
The canonical SMILES for 1-ethenyl-3-prop-1-enyl-2H-imidazole is C=CN1C=CN(C=CC)C1.
What is the InChIKey of 1-ethenyl-3-prop-1-enyl-2H-imidazole?
The InChIKey is KPDNLSBMZNDTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-5-10-7-6-9(4-2)8-10/h3-7H,2,8H2,1H3.
What are the key properties of 1-ethenyl-3-prop-1-enyl-2H-imidazole?
1-ethenyl-3-prop-1-enyl-2H-imidazole has a molecular weight of 136.20 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-prop-1-enyl-2H-imidazole is sourced from PubChem (CID 159199866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).