ethyl 2-(3-ethyl-2-oxoimidazol-1-yl)acetate

C9H14N2O3 — CID 59571585

IUPACethyl 2-(3-ethyl-2-oxoimidazol-1-yl)acetate
SMILESCCOC(=O)Cn1ccn(CC)c1=O
InChIInChI=1S/C9H14N2O3/c1-3-10-5-6-11(9(10)13)7-8(12)14-4-2/h5-6H,3-4,7H2,1-2H3
InChIKeyQKKRRQNHFDHJQI-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.23
Rot. Bonds4

About ethyl 2-(3-ethyl-2-oxoimidazol-1-yl)acetate

ethyl 2-(3-ethyl-2-oxoimidazol-1-yl)acetate (PubChem CID 59571585) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is ethyl 2-(3-ethyl-2-oxoimidazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-ethyl-2-oxoimidazol-1-yl)acetate
PubChem CID59571585
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Nameethyl 2-(3-ethyl-2-oxoimidazol-1-yl)acetate
SMILESCCOC(=O)Cn1ccn(CC)c1=O
InChIInChI=1S/C9H14N2O3/c1-3-10-5-6-11(9(10)13)7-8(12)14-4-2/h5-6H,3-4,7H2,1-2H3
InChIKeyQKKRRQNHFDHJQI-UHFFFAOYSA-N
XLogP0.23
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-ethyl-2-oxoimidazol-1-yl)acetate?
The IUPAC name of ethyl 2-(3-ethyl-2-oxoimidazol-1-yl)acetate (CID 59571585) is ethyl 2-(3-ethyl-2-oxoimidazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3-ethyl-2-oxoimidazol-1-yl)acetate?
The canonical SMILES for ethyl 2-(3-ethyl-2-oxoimidazol-1-yl)acetate is CCOC(=O)Cn1ccn(CC)c1=O.
What is the InChIKey of ethyl 2-(3-ethyl-2-oxoimidazol-1-yl)acetate?
The InChIKey is QKKRRQNHFDHJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-3-10-5-6-11(9(10)13)7-8(12)14-4-2/h5-6H,3-4,7H2,1-2H3.
What are the key properties of ethyl 2-(3-ethyl-2-oxoimidazol-1-yl)acetate?
ethyl 2-(3-ethyl-2-oxoimidazol-1-yl)acetate has a molecular weight of 198.22 g/mol, XLogP of 0.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-ethyl-2-oxoimidazol-1-yl)acetate is sourced from PubChem (CID 59571585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).