2-(1,1-dioxothiolan-3-yl)-1H-imidazo[1,2-a]pyridin-5-one

C11H12N2O3S — CID 117131129

IUPAC2-(1,1-dioxothiolan-3-yl)-1H-imidazo[1,2-a]pyridin-5-one
SMILESO=c1cccc2[nH]c(C3CCS(=O)(=O)C3)cn12
InChIInChI=1S/C11H12N2O3S/c14-11-3-1-2-10-12-9(6-13(10)11)8-4-5-17(15,16)7-8/h1-3,6,8,12H,4-5,7H2
InChIKeyTWIAOVUAAIKSEF-UHFFFAOYSA-N
MW252.29 g/mol
LogP0.53
Rot. Bonds1

About 2-(1,1-dioxothiolan-3-yl)-1H-imidazo[1,2-a]pyridin-5-one

2-(1,1-dioxothiolan-3-yl)-1H-imidazo[1,2-a]pyridin-5-one (PubChem CID 117131129) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-1H-imidazo[1,2-a]pyridin-5-one.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-1H-imidazo[1,2-a]pyridin-5-one
PubChem CID117131129
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name2-(1,1-dioxothiolan-3-yl)-1H-imidazo[1,2-a]pyridin-5-one
SMILESO=c1cccc2[nH]c(C3CCS(=O)(=O)C3)cn12
InChIInChI=1S/C11H12N2O3S/c14-11-3-1-2-10-12-9(6-13(10)11)8-4-5-17(15,16)7-8/h1-3,6,8,12H,4-5,7H2
InChIKeyTWIAOVUAAIKSEF-UHFFFAOYSA-N
XLogP0.53
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-1H-imidazo[1,2-a]pyridin-5-one?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-1H-imidazo[1,2-a]pyridin-5-one (CID 117131129) is 2-(1,1-dioxothiolan-3-yl)-1H-imidazo[1,2-a]pyridin-5-one.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-1H-imidazo[1,2-a]pyridin-5-one?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-1H-imidazo[1,2-a]pyridin-5-one is O=c1cccc2[nH]c(C3CCS(=O)(=O)C3)cn12.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-1H-imidazo[1,2-a]pyridin-5-one?
The InChIKey is TWIAOVUAAIKSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c14-11-3-1-2-10-12-9(6-13(10)11)8-4-5-17(15,16)7-8/h1-3,6,8,12H,4-5,7H2.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-1H-imidazo[1,2-a]pyridin-5-one?
2-(1,1-dioxothiolan-3-yl)-1H-imidazo[1,2-a]pyridin-5-one has a molecular weight of 252.29 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-1H-imidazo[1,2-a]pyridin-5-one is sourced from PubChem (CID 117131129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).