1-(1-ethoxyethenyl)imidazole

C7H10N2O — CID 174806747

IUPAC1-(1-ethoxyethenyl)imidazole
SMILESC=C(OCC)n1ccnc1
InChIInChI=1S/C7H10N2O/c1-3-10-7(2)9-5-4-8-6-9/h4-6H,2-3H2,1H3
InChIKeyZGLRARMGWZSLCZ-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.35
Rot. Bonds3

About 1-(1-ethoxyethenyl)imidazole

1-(1-ethoxyethenyl)imidazole (PubChem CID 174806747) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-(1-ethoxyethenyl)imidazole.

Molecular Properties

Compound Name1-(1-ethoxyethenyl)imidazole
PubChem CID174806747
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name1-(1-ethoxyethenyl)imidazole
SMILESC=C(OCC)n1ccnc1
InChIInChI=1S/C7H10N2O/c1-3-10-7(2)9-5-4-8-6-9/h4-6H,2-3H2,1H3
InChIKeyZGLRARMGWZSLCZ-UHFFFAOYSA-N
XLogP1.35
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.35
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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Related Compounds

N-ethoxyimidazole-1-carboxamide
CID 71385822
2-methoxyethyl imidazole-1-carboxylate
CID 10583275
1-(1-fluoroethenyl)imidazole
CID 174960352
butyl imidazole-1-carboxylate
CID 12840941
methyl hydrogen carbonate;1-prop-1-en-2-ylimidazole
CID 174740575
ethyl imidazol-1-yl carbonate
CID 174735954
diethyl 2-imidazol-1-ylpropanedioate
CID 12742662
(2-amino-3-imidazol-1-yl-3-oxopropyl) 2-methylprop-2-enoate
CID 67459415
2-(imidazole-1-carbonylamino)ethyl 2-methylprop-2-enoate
CID 67424696
1-(3-phenylprop-1-en-2-yl)imidazole
CID 22115010
N,N-bis(2-ethoxyethyl)imidazole-1-carboxamide
CID 82961251
ethyl 2-fluoro-2-imidazol-1-ylacetate
CID 79885931

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxyethenyl)imidazole?
The IUPAC name of 1-(1-ethoxyethenyl)imidazole (CID 174806747) is 1-(1-ethoxyethenyl)imidazole.
What is the SMILES notation for 1-(1-ethoxyethenyl)imidazole?
The canonical SMILES for 1-(1-ethoxyethenyl)imidazole is C=C(OCC)n1ccnc1.
What is the InChIKey of 1-(1-ethoxyethenyl)imidazole?
The InChIKey is ZGLRARMGWZSLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-3-10-7(2)9-5-4-8-6-9/h4-6H,2-3H2,1H3.
What are the key properties of 1-(1-ethoxyethenyl)imidazole?
1-(1-ethoxyethenyl)imidazole has a molecular weight of 138.17 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethenyl)imidazole is sourced from PubChem (CID 174806747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).