1-(5-acetyl-4-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-2-one

C11H13N3O3 — CID 168701935

IUPAC1-(5-acetyl-4-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-2-one
SMILESCC(=O)c1cnc(N2CC(O)CC2=O)nc1C
InChIInChI=1S/C11H13N3O3/c1-6-9(7(2)15)4-12-11(13-6)14-5-8(16)3-10(14)17/h4,8,16H,3,5H2,1-2H3
InChIKeyTWGLONVCJJGIJZ-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.09
Rot. Bonds2

About 1-(5-acetyl-4-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-2-one

1-(5-acetyl-4-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-2-one (PubChem CID 168701935) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 1-(5-acetyl-4-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-acetyl-4-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-2-one
PubChem CID168701935
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name1-(5-acetyl-4-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-2-one
SMILESCC(=O)c1cnc(N2CC(O)CC2=O)nc1C
InChIInChI=1S/C11H13N3O3/c1-6-9(7(2)15)4-12-11(13-6)14-5-8(16)3-10(14)17/h4,8,16H,3,5H2,1-2H3
InChIKeyTWGLONVCJJGIJZ-UHFFFAOYSA-N
XLogP0.09
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyl-4-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(5-acetyl-4-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-2-one (CID 168701935) is 1-(5-acetyl-4-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(5-acetyl-4-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(5-acetyl-4-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-2-one is CC(=O)c1cnc(N2CC(O)CC2=O)nc1C.
What is the InChIKey of 1-(5-acetyl-4-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-2-one?
The InChIKey is TWGLONVCJJGIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-6-9(7(2)15)4-12-11(13-6)14-5-8(16)3-10(14)17/h4,8,16H,3,5H2,1-2H3.
What are the key properties of 1-(5-acetyl-4-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-2-one?
1-(5-acetyl-4-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-2-one has a molecular weight of 235.24 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetyl-4-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168701935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).