(5-acetyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl acetate

C8H10N2O4 — CID 70463911

IUPAC(5-acetyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl acetate
SMILESCC(=O)OCc1[nH]c(=O)[nH]c1C(C)=O
InChIInChI=1S/C8H10N2O4/c1-4(11)7-6(3-14-5(2)12)9-8(13)10-7/h3H2,1-2H3,(H2,9,10,13)
InChIKeyYMNGVBHTENEPKJ-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.03
Rot. Bonds3

About (5-acetyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl acetate

(5-acetyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl acetate (PubChem CID 70463911) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is (5-acetyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl acetate.

Molecular Properties

Compound Name(5-acetyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl acetate
PubChem CID70463911
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name(5-acetyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl acetate
SMILESCC(=O)OCc1[nH]c(=O)[nH]c1C(C)=O
InChIInChI=1S/C8H10N2O4/c1-4(11)7-6(3-14-5(2)12)9-8(13)10-7/h3H2,1-2H3,(H2,9,10,13)
InChIKeyYMNGVBHTENEPKJ-UHFFFAOYSA-N
XLogP-0.03
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl acetate?
The IUPAC name of (5-acetyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl acetate (CID 70463911) is (5-acetyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl acetate.
What is the SMILES notation for (5-acetyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl acetate?
The canonical SMILES for (5-acetyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl acetate is CC(=O)OCc1[nH]c(=O)[nH]c1C(C)=O.
What is the InChIKey of (5-acetyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl acetate?
The InChIKey is YMNGVBHTENEPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-4(11)7-6(3-14-5(2)12)9-8(13)10-7/h3H2,1-2H3,(H2,9,10,13).
What are the key properties of (5-acetyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl acetate?
(5-acetyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl acetate has a molecular weight of 198.18 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl acetate is sourced from PubChem (CID 70463911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).