(1-ethyl-3-methyl-2H-imidazol-2-yl) 4-oxopentanoate

C11H18N2O3 — CID 66664107

IUPAC(1-ethyl-3-methyl-2H-imidazol-2-yl) 4-oxopentanoate
SMILESCCN1C=CN(C)C1OC(=O)CCC(C)=O
InChIInChI=1S/C11H18N2O3/c1-4-13-8-7-12(3)11(13)16-10(15)6-5-9(2)14/h7-8,11H,4-6H2,1-3H3
InChIKeyVYEUVCWOZYGVCM-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.92
Rot. Bonds5

About (1-ethyl-3-methyl-2H-imidazol-2-yl) 4-oxopentanoate

(1-ethyl-3-methyl-2H-imidazol-2-yl) 4-oxopentanoate (PubChem CID 66664107) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is (1-ethyl-3-methyl-2H-imidazol-2-yl) 4-oxopentanoate.

Molecular Properties

Compound Name(1-ethyl-3-methyl-2H-imidazol-2-yl) 4-oxopentanoate
PubChem CID66664107
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name(1-ethyl-3-methyl-2H-imidazol-2-yl) 4-oxopentanoate
SMILESCCN1C=CN(C)C1OC(=O)CCC(C)=O
InChIInChI=1S/C11H18N2O3/c1-4-13-8-7-12(3)11(13)16-10(15)6-5-9(2)14/h7-8,11H,4-6H2,1-3H3
InChIKeyVYEUVCWOZYGVCM-UHFFFAOYSA-N
XLogP0.92
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3-methyl-2H-imidazol-2-yl) 4-oxopentanoate?
The IUPAC name of (1-ethyl-3-methyl-2H-imidazol-2-yl) 4-oxopentanoate (CID 66664107) is (1-ethyl-3-methyl-2H-imidazol-2-yl) 4-oxopentanoate.
What is the SMILES notation for (1-ethyl-3-methyl-2H-imidazol-2-yl) 4-oxopentanoate?
The canonical SMILES for (1-ethyl-3-methyl-2H-imidazol-2-yl) 4-oxopentanoate is CCN1C=CN(C)C1OC(=O)CCC(C)=O.
What is the InChIKey of (1-ethyl-3-methyl-2H-imidazol-2-yl) 4-oxopentanoate?
The InChIKey is VYEUVCWOZYGVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-4-13-8-7-12(3)11(13)16-10(15)6-5-9(2)14/h7-8,11H,4-6H2,1-3H3.
What are the key properties of (1-ethyl-3-methyl-2H-imidazol-2-yl) 4-oxopentanoate?
(1-ethyl-3-methyl-2H-imidazol-2-yl) 4-oxopentanoate has a molecular weight of 226.28 g/mol, XLogP of 0.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-methyl-2H-imidazol-2-yl) 4-oxopentanoate is sourced from PubChem (CID 66664107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).