2-ethyl-4-methyl-1-prop-2-enylimidazole

C9H14N2 — CID 19066610

IUPAC2-ethyl-4-methyl-1-prop-2-enylimidazole
SMILESC=CCn1cc(C)nc1CC
InChIInChI=1S/C9H14N2/c1-4-6-11-7-8(3)10-9(11)5-2/h4,7H,1,5-6H2,2-3H3
InChIKeyWPIMONLFIRFCPR-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.94
Rot. Bonds3

About 2-ethyl-4-methyl-1-prop-2-enylimidazole

2-ethyl-4-methyl-1-prop-2-enylimidazole (PubChem CID 19066610) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-ethyl-4-methyl-1-prop-2-enylimidazole.

Molecular Properties

Compound Name2-ethyl-4-methyl-1-prop-2-enylimidazole
PubChem CID19066610
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-ethyl-4-methyl-1-prop-2-enylimidazole
SMILESC=CCn1cc(C)nc1CC
InChIInChI=1S/C9H14N2/c1-4-6-11-7-8(3)10-9(11)5-2/h4,7H,1,5-6H2,2-3H3
InChIKeyWPIMONLFIRFCPR-UHFFFAOYSA-N
XLogP1.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethyl-4-methyl-1-prop-2-enylimidazole?
The IUPAC name of 2-ethyl-4-methyl-1-prop-2-enylimidazole (CID 19066610) is 2-ethyl-4-methyl-1-prop-2-enylimidazole.
What is the SMILES notation for 2-ethyl-4-methyl-1-prop-2-enylimidazole?
The canonical SMILES for 2-ethyl-4-methyl-1-prop-2-enylimidazole is C=CCn1cc(C)nc1CC.
What is the InChIKey of 2-ethyl-4-methyl-1-prop-2-enylimidazole?
The InChIKey is WPIMONLFIRFCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-6-11-7-8(3)10-9(11)5-2/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 2-ethyl-4-methyl-1-prop-2-enylimidazole?
2-ethyl-4-methyl-1-prop-2-enylimidazole has a molecular weight of 150.22 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 2-ethyl-4-methyl-1-prop-2-enylimidazole is sourced from PubChem (CID 19066610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).