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

C10H14N2O3 — CID 80580714

IUPACethyl 2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetate
SMILESCCOC(=O)Cn1ccn(C2CC2)c1=O
InChIInChI=1S/C10H14N2O3/c1-2-15-9(13)7-11-5-6-12(10(11)14)8-3-4-8/h5-6,8H,2-4,7H2,1H3
InChIKeyWKSFWJCGYHMHFP-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.55
Rot. Bonds4

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

ethyl 2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetate (PubChem CID 80580714) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetate
PubChem CID80580714
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Nameethyl 2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetate
SMILESCCOC(=O)Cn1ccn(C2CC2)c1=O
InChIInChI=1S/C10H14N2O3/c1-2-15-9(13)7-11-5-6-12(10(11)14)8-3-4-8/h5-6,8H,2-4,7H2,1H3
InChIKeyWKSFWJCGYHMHFP-UHFFFAOYSA-N
XLogP0.55
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetate?
The IUPAC name of ethyl 2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetate (CID 80580714) is ethyl 2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetate?
The canonical SMILES for ethyl 2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetate is CCOC(=O)Cn1ccn(C2CC2)c1=O.
What is the InChIKey of ethyl 2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetate?
The InChIKey is WKSFWJCGYHMHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-15-9(13)7-11-5-6-12(10(11)14)8-3-4-8/h5-6,8H,2-4,7H2,1H3.
What are the key properties of ethyl 2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetate?
ethyl 2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetate has a molecular weight of 210.23 g/mol, XLogP of 0.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetate is sourced from PubChem (CID 80580714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).