ethyl 2-methyl-2-(1-methylimidazol-4-yl)propanoate

C10H16N2O2 — CID 66887984

IUPACethyl 2-methyl-2-(1-methylimidazol-4-yl)propanoate
SMILESCCOC(=O)C(C)(C)c1cn(C)cn1
InChIInChI=1S/C10H16N2O2/c1-5-14-9(13)10(2,3)8-6-12(4)7-11-8/h6-7H,5H2,1-4H3
InChIKeyLBANYRMGLHAJGW-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.26
Rot. Bonds3

About ethyl 2-methyl-2-(1-methylimidazol-4-yl)propanoate

ethyl 2-methyl-2-(1-methylimidazol-4-yl)propanoate (PubChem CID 66887984) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is ethyl 2-methyl-2-(1-methylimidazol-4-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(1-methylimidazol-4-yl)propanoate
PubChem CID66887984
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Nameethyl 2-methyl-2-(1-methylimidazol-4-yl)propanoate
SMILESCCOC(=O)C(C)(C)c1cn(C)cn1
InChIInChI=1S/C10H16N2O2/c1-5-14-9(13)10(2,3)8-6-12(4)7-11-8/h6-7H,5H2,1-4H3
InChIKeyLBANYRMGLHAJGW-UHFFFAOYSA-N
XLogP1.26
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-(1-methylimidazol-4-yl)propanoate?
The IUPAC name of ethyl 2-methyl-2-(1-methylimidazol-4-yl)propanoate (CID 66887984) is ethyl 2-methyl-2-(1-methylimidazol-4-yl)propanoate.
What is the SMILES notation for ethyl 2-methyl-2-(1-methylimidazol-4-yl)propanoate?
The canonical SMILES for ethyl 2-methyl-2-(1-methylimidazol-4-yl)propanoate is CCOC(=O)C(C)(C)c1cn(C)cn1.
What is the InChIKey of ethyl 2-methyl-2-(1-methylimidazol-4-yl)propanoate?
The InChIKey is LBANYRMGLHAJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-5-14-9(13)10(2,3)8-6-12(4)7-11-8/h6-7H,5H2,1-4H3.
What are the key properties of ethyl 2-methyl-2-(1-methylimidazol-4-yl)propanoate?
ethyl 2-methyl-2-(1-methylimidazol-4-yl)propanoate has a molecular weight of 196.25 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(1-methylimidazol-4-yl)propanoate is sourced from PubChem (CID 66887984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).