1-ethyl-3-methyl-2H-imidazole;4-oxopentanoic acid

C11H20N2O3 — CID 162278148

IUPAC1-ethyl-3-methyl-2H-imidazole;4-oxopentanoic acid
SMILESCC(=O)CCC(=O)O.CCN1C=CN(C)C1
InChIInChI=1S/C6H12N2.C5H8O3/c1-3-8-5-4-7(2)6-8;1-4(6)2-3-5(7)8/h4-5H,3,6H2,1-2H3;2-3H2,1H3,(H,7,8)
InChIKeyZDNPLDJPIMJARB-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.12
Rot. Bonds4

About 1-ethyl-3-methyl-2H-imidazole;4-oxopentanoic acid

1-ethyl-3-methyl-2H-imidazole;4-oxopentanoic acid (PubChem CID 162278148) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2H-imidazole;4-oxopentanoic acid.

Molecular Properties

Compound Name1-ethyl-3-methyl-2H-imidazole;4-oxopentanoic acid
PubChem CID162278148
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-ethyl-3-methyl-2H-imidazole;4-oxopentanoic acid
SMILESCC(=O)CCC(=O)O.CCN1C=CN(C)C1
InChIInChI=1S/C6H12N2.C5H8O3/c1-3-8-5-4-7(2)6-8;1-4(6)2-3-5(7)8/h4-5H,3,6H2,1-2H3;2-3H2,1H3,(H,7,8)
InChIKeyZDNPLDJPIMJARB-UHFFFAOYSA-N
XLogP1.12
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-2H-imidazole;4-oxopentanoic acid?
The IUPAC name of 1-ethyl-3-methyl-2H-imidazole;4-oxopentanoic acid (CID 162278148) is 1-ethyl-3-methyl-2H-imidazole;4-oxopentanoic acid.
What is the SMILES notation for 1-ethyl-3-methyl-2H-imidazole;4-oxopentanoic acid?
The canonical SMILES for 1-ethyl-3-methyl-2H-imidazole;4-oxopentanoic acid is CC(=O)CCC(=O)O.CCN1C=CN(C)C1.
What is the InChIKey of 1-ethyl-3-methyl-2H-imidazole;4-oxopentanoic acid?
The InChIKey is ZDNPLDJPIMJARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.C5H8O3/c1-3-8-5-4-7(2)6-8;1-4(6)2-3-5(7)8/h4-5H,3,6H2,1-2H3;2-3H2,1H3,(H,7,8).
What are the key properties of 1-ethyl-3-methyl-2H-imidazole;4-oxopentanoic acid?
1-ethyl-3-methyl-2H-imidazole;4-oxopentanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-2H-imidazole;4-oxopentanoic acid is sourced from PubChem (CID 162278148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).