2-ethoxy-1-imidazol-1-ylethanone

C7H10N2O2 — CID 58939128

IUPAC2-ethoxy-1-imidazol-1-ylethanone
SMILESCCOCC(=O)n1ccnc1
InChIInChI=1S/C7H10N2O2/c1-2-11-5-7(10)9-4-3-8-6-9/h3-4,6H,2,5H2,1H3
InChIKeyMCOIVWNSYCCMLN-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.56
Rot. Bonds3

About 2-ethoxy-1-imidazol-1-ylethanone

2-ethoxy-1-imidazol-1-ylethanone (PubChem CID 58939128) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-ethoxy-1-imidazol-1-ylethanone.

Molecular Properties

Compound Name2-ethoxy-1-imidazol-1-ylethanone
PubChem CID58939128
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-ethoxy-1-imidazol-1-ylethanone
SMILESCCOCC(=O)n1ccnc1
InChIInChI=1S/C7H10N2O2/c1-2-11-5-7(10)9-4-3-8-6-9/h3-4,6H,2,5H2,1H3
InChIKeyMCOIVWNSYCCMLN-UHFFFAOYSA-N
XLogP0.56
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-Imidazol-1-yl)ethanone
CID 17174
Ethyl 1H-imidazole-1-carboxylate
CID 87963
ethyl 2-(1H-imidazol-1-yl)acetate
CID 3798501
4-(1H-imidazole-1-carbonyl)morpholine
CID 5230546
1-(1-oxopropyl)-1H-imidazole
CID 77770
1-(2-methoxyethyl)-1H-imidazole
CID 14366840
3-methyl-1-(morpholine-4-carbonyl)-1H-imidazol-3-ium iodide
CID 11220989
2-(1H-imidazol-1-yl)ethyl dimethylcarbamate
CID 852442
1-(2-Methyl-1-imidazolyl)ethanone
CID 13058840
Acetamide, N-(3-imidazol-1-ylpropyl)-2-methoxy-
CID 3148030
2-Methoxy-1-[4-(1-methyl-2-imidazolyl)-1-piperazinyl]-1-ethanone
CID 25284771
2-Ethoxy-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]ethanone
CID 25284873

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-imidazol-1-ylethanone?
The IUPAC name of 2-ethoxy-1-imidazol-1-ylethanone (CID 58939128) is 2-ethoxy-1-imidazol-1-ylethanone.
What is the SMILES notation for 2-ethoxy-1-imidazol-1-ylethanone?
The canonical SMILES for 2-ethoxy-1-imidazol-1-ylethanone is CCOCC(=O)n1ccnc1.
What is the InChIKey of 2-ethoxy-1-imidazol-1-ylethanone?
The InChIKey is MCOIVWNSYCCMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-11-5-7(10)9-4-3-8-6-9/h3-4,6H,2,5H2,1H3.
What are the key properties of 2-ethoxy-1-imidazol-1-ylethanone?
2-ethoxy-1-imidazol-1-ylethanone has a molecular weight of 154.17 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-imidazol-1-ylethanone is sourced from PubChem (CID 58939128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).