(1-acetyl-4-methylimidazol-2-yl) acetate

C8H10N2O3 — CID 45119345

IUPAC(1-acetyl-4-methylimidazol-2-yl) acetate
SMILESCC(=O)Oc1nc(C)cn1C(C)=O
InChIInChI=1S/C8H10N2O3/c1-5-4-10(6(2)11)8(9-5)13-7(3)12/h4H,1-3H3
InChIKeyJJSWBNHWTDYCAY-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.78
Rot. Bonds1

About (1-acetyl-4-methylimidazol-2-yl) acetate

(1-acetyl-4-methylimidazol-2-yl) acetate (PubChem CID 45119345) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is (1-acetyl-4-methylimidazol-2-yl) acetate.

Molecular Properties

Compound Name(1-acetyl-4-methylimidazol-2-yl) acetate
PubChem CID45119345
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name(1-acetyl-4-methylimidazol-2-yl) acetate
SMILESCC(=O)Oc1nc(C)cn1C(C)=O
InChIInChI=1S/C8H10N2O3/c1-5-4-10(6(2)11)8(9-5)13-7(3)12/h4H,1-3H3
InChIKeyJJSWBNHWTDYCAY-UHFFFAOYSA-N
XLogP0.78
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-acetyl-4-methylimidazol-2-yl) acetate?
The IUPAC name of (1-acetyl-4-methylimidazol-2-yl) acetate (CID 45119345) is (1-acetyl-4-methylimidazol-2-yl) acetate.
What is the SMILES notation for (1-acetyl-4-methylimidazol-2-yl) acetate?
The canonical SMILES for (1-acetyl-4-methylimidazol-2-yl) acetate is CC(=O)Oc1nc(C)cn1C(C)=O.
What is the InChIKey of (1-acetyl-4-methylimidazol-2-yl) acetate?
The InChIKey is JJSWBNHWTDYCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5-4-10(6(2)11)8(9-5)13-7(3)12/h4H,1-3H3.
What are the key properties of (1-acetyl-4-methylimidazol-2-yl) acetate?
(1-acetyl-4-methylimidazol-2-yl) acetate has a molecular weight of 182.18 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyl-4-methylimidazol-2-yl) acetate is sourced from PubChem (CID 45119345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).