1,3-dimethyl-2H-imidazole;ethyl 2-hydroxypropanoate

C10H20N2O3 — CID 174890882

IUPAC1,3-dimethyl-2H-imidazole;ethyl 2-hydroxypropanoate
SMILESCCOC(=O)C(C)O.CN1C=CN(C)C1
InChIInChI=1S/C5H10N2.C5H10O3/c1-6-3-4-7(2)5-6;1-3-8-5(7)4(2)6/h3-4H,5H2,1-2H3;4,6H,3H2,1-2H3
InChIKeyDANXWQKYKDWOPG-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.22
Rot. Bonds2

About 1,3-dimethyl-2H-imidazole;ethyl 2-hydroxypropanoate

1,3-dimethyl-2H-imidazole;ethyl 2-hydroxypropanoate (PubChem CID 174890882) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1,3-dimethyl-2H-imidazole;ethyl 2-hydroxypropanoate.

Molecular Properties

Compound Name1,3-dimethyl-2H-imidazole;ethyl 2-hydroxypropanoate
PubChem CID174890882
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name1,3-dimethyl-2H-imidazole;ethyl 2-hydroxypropanoate
SMILESCCOC(=O)C(C)O.CN1C=CN(C)C1
InChIInChI=1S/C5H10N2.C5H10O3/c1-6-3-4-7(2)5-6;1-3-8-5(7)4(2)6/h3-4H,5H2,1-2H3;4,6H,3H2,1-2H3
InChIKeyDANXWQKYKDWOPG-UHFFFAOYSA-N
XLogP0.22
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-hydroxypropanoate;sulfane
CID 162209332
ethyl 2-(3-methyl-2H-imidazol-1-yl)butanoate
CID 18624583
butan-2-one;ethyl 2-hydroxypropanoate
CID 19875658
ethyl 2-hydroxypropanoate;ethyl 2-methylbutanoate
CID 175450958
ethyl 2-hydroxypropanoate;2-fluoroacetic acid
CID 174849871
1,3-dimethyl-2H-imidazole;ethane-1,1-diol;rhodium(2+);diiodide
CID 171376624
acetic acid;1-ethoxy-3-methyl-2H-imidazole
CID 174583134
cyclohexanone;ethyl 2-hydroxypropanoate
CID 22290081
dimethyl carbonate;1,3-dimethyl-2H-imidazole
CID 175750899
azane;ethyl 2-hydroxypropanoate;phenylmercury
CID 174333864
bis(butan-1-olate);bis(ethyl 2-hydroxypropanoate);zirconium(2+)
CID 173454939
diethyl hydrogen phosphate;1,3-dimethyl-2H-imidazole
CID 162039281

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2H-imidazole;ethyl 2-hydroxypropanoate?
The IUPAC name of 1,3-dimethyl-2H-imidazole;ethyl 2-hydroxypropanoate (CID 174890882) is 1,3-dimethyl-2H-imidazole;ethyl 2-hydroxypropanoate.
What is the SMILES notation for 1,3-dimethyl-2H-imidazole;ethyl 2-hydroxypropanoate?
The canonical SMILES for 1,3-dimethyl-2H-imidazole;ethyl 2-hydroxypropanoate is CCOC(=O)C(C)O.CN1C=CN(C)C1.
What is the InChIKey of 1,3-dimethyl-2H-imidazole;ethyl 2-hydroxypropanoate?
The InChIKey is DANXWQKYKDWOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2.C5H10O3/c1-6-3-4-7(2)5-6;1-3-8-5(7)4(2)6/h3-4H,5H2,1-2H3;4,6H,3H2,1-2H3.
What are the key properties of 1,3-dimethyl-2H-imidazole;ethyl 2-hydroxypropanoate?
1,3-dimethyl-2H-imidazole;ethyl 2-hydroxypropanoate has a molecular weight of 216.28 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2H-imidazole;ethyl 2-hydroxypropanoate is sourced from PubChem (CID 174890882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).