acetic acid;1-ethoxy-3-methyl-2H-imidazole

C8H16N2O3 — CID 174583134

IUPACacetic acid;1-ethoxy-3-methyl-2H-imidazole
SMILESCC(=O)O.CCON1C=CN(C)C1
InChIInChI=1S/C6H12N2O.C2H4O2/c1-3-9-8-5-4-7(2)6-8;1-2(3)4/h4-5H,3,6H2,1-2H3;1H3,(H,3,4)
InChIKeyMWVVYAOKBQZAOP-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.70
Rot. Bonds2

About acetic acid;1-ethoxy-3-methyl-2H-imidazole

acetic acid;1-ethoxy-3-methyl-2H-imidazole (PubChem CID 174583134) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is acetic acid;1-ethoxy-3-methyl-2H-imidazole.

Molecular Properties

Compound Nameacetic acid;1-ethoxy-3-methyl-2H-imidazole
PubChem CID174583134
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Nameacetic acid;1-ethoxy-3-methyl-2H-imidazole
SMILESCC(=O)O.CCON1C=CN(C)C1
InChIInChI=1S/C6H12N2O.C2H4O2/c1-3-9-8-5-4-7(2)6-8;1-2(3)4/h4-5H,3,6H2,1-2H3;1H3,(H,3,4)
InChIKeyMWVVYAOKBQZAOP-UHFFFAOYSA-N
XLogP0.70
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of acetic acid;1-ethoxy-3-methyl-2H-imidazole?
The IUPAC name of acetic acid;1-ethoxy-3-methyl-2H-imidazole (CID 174583134) is acetic acid;1-ethoxy-3-methyl-2H-imidazole.
What is the SMILES notation for acetic acid;1-ethoxy-3-methyl-2H-imidazole?
The canonical SMILES for acetic acid;1-ethoxy-3-methyl-2H-imidazole is CC(=O)O.CCON1C=CN(C)C1.
What is the InChIKey of acetic acid;1-ethoxy-3-methyl-2H-imidazole?
The InChIKey is MWVVYAOKBQZAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.C2H4O2/c1-3-9-8-5-4-7(2)6-8;1-2(3)4/h4-5H,3,6H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-ethoxy-3-methyl-2H-imidazole?
acetic acid;1-ethoxy-3-methyl-2H-imidazole has a molecular weight of 188.23 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-ethoxy-3-methyl-2H-imidazole is sourced from PubChem (CID 174583134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).