2-(2-methylpropanoyl)-2H-thieno[2,3-b]pyridin-4-one

C11H11NO2S — CID 154169400

IUPAC2-(2-methylpropanoyl)-2H-thieno[2,3-b]pyridin-4-one
SMILESCC(C)C(=O)C1C=C2C(=O)C=CN=C2S1
InChIInChI=1S/C11H11NO2S/c1-6(2)10(14)9-5-7-8(13)3-4-12-11(7)15-9/h3-6,9H,1-2H3
InChIKeyLYKLEWQLSBDQKI-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.75
Rot. Bonds2

About 2-(2-methylpropanoyl)-2H-thieno[2,3-b]pyridin-4-one

2-(2-methylpropanoyl)-2H-thieno[2,3-b]pyridin-4-one (PubChem CID 154169400) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-(2-methylpropanoyl)-2H-thieno[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name2-(2-methylpropanoyl)-2H-thieno[2,3-b]pyridin-4-one
PubChem CID154169400
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name2-(2-methylpropanoyl)-2H-thieno[2,3-b]pyridin-4-one
SMILESCC(C)C(=O)C1C=C2C(=O)C=CN=C2S1
InChIInChI=1S/C11H11NO2S/c1-6(2)10(14)9-5-7-8(13)3-4-12-11(7)15-9/h3-6,9H,1-2H3
InChIKeyLYKLEWQLSBDQKI-UHFFFAOYSA-N
XLogP1.75
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropanoyl)-2H-thieno[2,3-b]pyridin-4-one?
The IUPAC name of 2-(2-methylpropanoyl)-2H-thieno[2,3-b]pyridin-4-one (CID 154169400) is 2-(2-methylpropanoyl)-2H-thieno[2,3-b]pyridin-4-one.
What is the SMILES notation for 2-(2-methylpropanoyl)-2H-thieno[2,3-b]pyridin-4-one?
The canonical SMILES for 2-(2-methylpropanoyl)-2H-thieno[2,3-b]pyridin-4-one is CC(C)C(=O)C1C=C2C(=O)C=CN=C2S1.
What is the InChIKey of 2-(2-methylpropanoyl)-2H-thieno[2,3-b]pyridin-4-one?
The InChIKey is LYKLEWQLSBDQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-6(2)10(14)9-5-7-8(13)3-4-12-11(7)15-9/h3-6,9H,1-2H3.
What are the key properties of 2-(2-methylpropanoyl)-2H-thieno[2,3-b]pyridin-4-one?
2-(2-methylpropanoyl)-2H-thieno[2,3-b]pyridin-4-one has a molecular weight of 221.28 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropanoyl)-2H-thieno[2,3-b]pyridin-4-one is sourced from PubChem (CID 154169400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).