3-bromo-5-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-c]pyridin-4-one

C13H13BrN2O2S — CID 129219603

IUPAC3-bromo-5-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-c]pyridin-4-one
SMILESO=C(Cn1ccc2scc(Br)c2c1=O)N1CCCC1
InChIInChI=1S/C13H13BrN2O2S/c14-9-8-19-10-3-6-16(13(18)12(9)10)7-11(17)15-4-1-2-5-15/h3,6,8H,1-2,4-5,7H2
InChIKeyWLKQZKUXFFPCKR-UHFFFAOYSA-N
MW341.23 g/mol
LogP2.45
Rot. Bonds2

About 3-bromo-5-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-c]pyridin-4-one

3-bromo-5-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-c]pyridin-4-one (PubChem CID 129219603) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is 3-bromo-5-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-bromo-5-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-c]pyridin-4-one
PubChem CID129219603
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC Name3-bromo-5-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-c]pyridin-4-one
SMILESO=C(Cn1ccc2scc(Br)c2c1=O)N1CCCC1
InChIInChI=1S/C13H13BrN2O2S/c14-9-8-19-10-3-6-16(13(18)12(9)10)7-11(17)15-4-1-2-5-15/h3,6,8H,1-2,4-5,7H2
InChIKeyWLKQZKUXFFPCKR-UHFFFAOYSA-N
XLogP2.45
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-c]pyridin-4-one?
The IUPAC name of 3-bromo-5-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-c]pyridin-4-one (CID 129219603) is 3-bromo-5-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-bromo-5-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 3-bromo-5-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-c]pyridin-4-one is O=C(Cn1ccc2scc(Br)c2c1=O)N1CCCC1.
What is the InChIKey of 3-bromo-5-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-c]pyridin-4-one?
The InChIKey is WLKQZKUXFFPCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c14-9-8-19-10-3-6-16(13(18)12(9)10)7-11(17)15-4-1-2-5-15/h3,6,8H,1-2,4-5,7H2.
What are the key properties of 3-bromo-5-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-c]pyridin-4-one?
3-bromo-5-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-c]pyridin-4-one has a molecular weight of 341.23 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 129219603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).