1-ethyl-2-prop-1-en-2-yloxyimidazole

C8H12N2O — CID 174361377

IUPAC1-ethyl-2-prop-1-en-2-yloxyimidazole
SMILESC=C(C)Oc1nccn1CC
InChIInChI=1S/C8H12N2O/c1-4-10-6-5-9-8(10)11-7(2)3/h5-6H,2,4H2,1,3H3
InChIKeyJOGFTGBBYLCTJH-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.82
Rot. Bonds3

About 1-ethyl-2-prop-1-en-2-yloxyimidazole

1-ethyl-2-prop-1-en-2-yloxyimidazole (PubChem CID 174361377) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-ethyl-2-prop-1-en-2-yloxyimidazole.

Molecular Properties

Compound Name1-ethyl-2-prop-1-en-2-yloxyimidazole
PubChem CID174361377
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-ethyl-2-prop-1-en-2-yloxyimidazole
SMILESC=C(C)Oc1nccn1CC
InChIInChI=1S/C8H12N2O/c1-4-10-6-5-9-8(10)11-7(2)3/h5-6H,2,4H2,1,3H3
InChIKeyJOGFTGBBYLCTJH-UHFFFAOYSA-N
XLogP1.82
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-prop-1-en-2-yloxyimidazole?
The IUPAC name of 1-ethyl-2-prop-1-en-2-yloxyimidazole (CID 174361377) is 1-ethyl-2-prop-1-en-2-yloxyimidazole.
What is the SMILES notation for 1-ethyl-2-prop-1-en-2-yloxyimidazole?
The canonical SMILES for 1-ethyl-2-prop-1-en-2-yloxyimidazole is C=C(C)Oc1nccn1CC.
What is the InChIKey of 1-ethyl-2-prop-1-en-2-yloxyimidazole?
The InChIKey is JOGFTGBBYLCTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-4-10-6-5-9-8(10)11-7(2)3/h5-6H,2,4H2,1,3H3.
What are the key properties of 1-ethyl-2-prop-1-en-2-yloxyimidazole?
1-ethyl-2-prop-1-en-2-yloxyimidazole has a molecular weight of 152.20 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-prop-1-en-2-yloxyimidazole is sourced from PubChem (CID 174361377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).