ethyl 1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate

C10H14N2O4 — CID 91623495

IUPACethyl 1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate
SMILESCCOC(=O)Cn1cnc(C(=O)OCC)c1
InChIInChI=1S/C10H14N2O4/c1-3-15-9(13)6-12-5-8(11-7-12)10(14)16-4-2/h5,7H,3-4,6H2,1-2H3
InChIKeyKWKBCNQBNHLQAA-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.62
Rot. Bonds5

About ethyl 1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate

ethyl 1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate (PubChem CID 91623495) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is ethyl 1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate
PubChem CID91623495
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Nameethyl 1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate
SMILESCCOC(=O)Cn1cnc(C(=O)OCC)c1
InChIInChI=1S/C10H14N2O4/c1-3-15-9(13)6-12-5-8(11-7-12)10(14)16-4-2/h5,7H,3-4,6H2,1-2H3
InChIKeyKWKBCNQBNHLQAA-UHFFFAOYSA-N
XLogP0.62
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate?
The IUPAC name of ethyl 1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate (CID 91623495) is ethyl 1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate is CCOC(=O)Cn1cnc(C(=O)OCC)c1.
What is the InChIKey of ethyl 1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate?
The InChIKey is KWKBCNQBNHLQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-3-15-9(13)6-12-5-8(11-7-12)10(14)16-4-2/h5,7H,3-4,6H2,1-2H3.
What are the key properties of ethyl 1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate?
ethyl 1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate has a molecular weight of 226.23 g/mol, XLogP of 0.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate is sourced from PubChem (CID 91623495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).