1-(2-prop-2-enoxyethyl)imidazole

C8H12N2O — CID 141049243

IUPAC1-(2-prop-2-enoxyethyl)imidazole
SMILESC=CCOCCn1ccnc1
InChIInChI=1S/C8H12N2O/c1-2-6-11-7-5-10-4-3-9-8-10/h2-4,8H,1,5-7H2
InChIKeyYXDLXUQOGYRKCG-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.09
Rot. Bonds5

About 1-(2-prop-2-enoxyethyl)imidazole

1-(2-prop-2-enoxyethyl)imidazole (PubChem CID 141049243) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-(2-prop-2-enoxyethyl)imidazole.

Molecular Properties

Compound Name1-(2-prop-2-enoxyethyl)imidazole
PubChem CID141049243
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-(2-prop-2-enoxyethyl)imidazole
SMILESC=CCOCCn1ccnc1
InChIInChI=1S/C8H12N2O/c1-2-6-11-7-5-10-4-3-9-8-10/h2-4,8H,1,5-7H2
InChIKeyYXDLXUQOGYRKCG-UHFFFAOYSA-N
XLogP1.09
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]imidazole
CID 66705550
1-[2-(2-propoxyethoxy)ethyl]imidazole
CID 54030122
3-(2-imidazol-1-ylethoxy)propan-1-amine
CID 106938071
1-(2-methoxyethyl)imidazole
CID 14366840
2-(2-imidazol-1-ylethoxy)-N-methylethanamine
CID 106937829
1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]imidazole
CID 176721409
phosphane;1-prop-2-enylimidazole
CID 174916196
1-but-3-enylimidazole;formic acid
CID 173073121
N-ethenyl-3-imidazol-1-ylpropan-1-amine
CID 143541256
1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]imidazole
CID 2993147
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
2-imidazol-1-ylethanol
CID 159023310

Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-2-enoxyethyl)imidazole?
The IUPAC name of 1-(2-prop-2-enoxyethyl)imidazole (CID 141049243) is 1-(2-prop-2-enoxyethyl)imidazole.
What is the SMILES notation for 1-(2-prop-2-enoxyethyl)imidazole?
The canonical SMILES for 1-(2-prop-2-enoxyethyl)imidazole is C=CCOCCn1ccnc1.
What is the InChIKey of 1-(2-prop-2-enoxyethyl)imidazole?
The InChIKey is YXDLXUQOGYRKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-6-11-7-5-10-4-3-9-8-10/h2-4,8H,1,5-7H2.
What are the key properties of 1-(2-prop-2-enoxyethyl)imidazole?
1-(2-prop-2-enoxyethyl)imidazole has a molecular weight of 152.20 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-enoxyethyl)imidazole is sourced from PubChem (CID 141049243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).