ethyl 2-imidazol-1-ylacetate

C7H10N2O2 — CID 3798501

IUPACethyl 2-imidazol-1-ylacetate
SMILESCCOC(=O)Cn1ccnc1
InChIInChI=1S/C7H10N2O2/c1-2-11-7(10)5-9-4-3-8-6-9/h3-4,6H,2,5H2,1H3
InChIKeyOITZNDMCFHYWLX-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.45
Rot. Bonds3

About ethyl 2-imidazol-1-ylacetate

ethyl 2-imidazol-1-ylacetate (PubChem CID 3798501) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is ethyl 2-imidazol-1-ylacetate.

Molecular Properties

Compound Nameethyl 2-imidazol-1-ylacetate
PubChem CID3798501
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Nameethyl 2-imidazol-1-ylacetate
SMILESCCOC(=O)Cn1ccnc1
InChIInChI=1S/C7H10N2O2/c1-2-11-7(10)5-9-4-3-8-6-9/h3-4,6H,2,5H2,1H3
InChIKeyOITZNDMCFHYWLX-UHFFFAOYSA-N
XLogP0.45
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 ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-imidazol-1-ylacetate?
The IUPAC name of ethyl 2-imidazol-1-ylacetate (CID 3798501) is ethyl 2-imidazol-1-ylacetate.
What is the SMILES notation for ethyl 2-imidazol-1-ylacetate?
The canonical SMILES for ethyl 2-imidazol-1-ylacetate is CCOC(=O)Cn1ccnc1.
What is the InChIKey of ethyl 2-imidazol-1-ylacetate?
The InChIKey is OITZNDMCFHYWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-11-7(10)5-9-4-3-8-6-9/h3-4,6H,2,5H2,1H3.
What are the key properties of ethyl 2-imidazol-1-ylacetate?
ethyl 2-imidazol-1-ylacetate has a molecular weight of 154.17 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-imidazol-1-ylacetate is sourced from PubChem (CID 3798501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).