2-bromo-4,5-dihydrothieno[2,3-c]pyrrol-6-one

C6H4BrNOS — CID 59023141

IUPAC2-bromo-4,5-dihydrothieno[2,3-c]pyrrol-6-one
SMILESO=C1NCc2cc(Br)sc21
InChIInChI=1S/C6H4BrNOS/c7-4-1-3-2-8-6(9)5(3)10-4/h1H,2H2,(H,8,9)
InChIKeyDYOODSONLYUOFR-UHFFFAOYSA-N
MW218.07 g/mol
LogP1.75
Rot. Bonds

About 2-bromo-4,5-dihydrothieno[2,3-c]pyrrol-6-one

2-bromo-4,5-dihydrothieno[2,3-c]pyrrol-6-one (PubChem CID 59023141) has the molecular formula C6H4BrNOS and a molecular weight of 218.07 g/mol. Its IUPAC name is 2-bromo-4,5-dihydrothieno[2,3-c]pyrrol-6-one.

Molecular Properties

Compound Name2-bromo-4,5-dihydrothieno[2,3-c]pyrrol-6-one
PubChem CID59023141
Molecular FormulaC6H4BrNOS
Molecular Weight218.07 g/mol
Exact Mass216.92
IUPAC Name2-bromo-4,5-dihydrothieno[2,3-c]pyrrol-6-one
SMILESO=C1NCc2cc(Br)sc21
InChIInChI=1S/C6H4BrNOS/c7-4-1-3-2-8-6(9)5(3)10-4/h1H,2H2,(H,8,9)
InChIKeyDYOODSONLYUOFR-UHFFFAOYSA-N
XLogP1.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.07
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,5-dihydrothieno[2,3-c]pyrrol-6-one?
The IUPAC name of 2-bromo-4,5-dihydrothieno[2,3-c]pyrrol-6-one (CID 59023141) is 2-bromo-4,5-dihydrothieno[2,3-c]pyrrol-6-one.
What is the SMILES notation for 2-bromo-4,5-dihydrothieno[2,3-c]pyrrol-6-one?
The canonical SMILES for 2-bromo-4,5-dihydrothieno[2,3-c]pyrrol-6-one is O=C1NCc2cc(Br)sc21.
What is the InChIKey of 2-bromo-4,5-dihydrothieno[2,3-c]pyrrol-6-one?
The InChIKey is DYOODSONLYUOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrNOS/c7-4-1-3-2-8-6(9)5(3)10-4/h1H,2H2,(H,8,9).
What are the key properties of 2-bromo-4,5-dihydrothieno[2,3-c]pyrrol-6-one?
2-bromo-4,5-dihydrothieno[2,3-c]pyrrol-6-one has a molecular weight of 218.07 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,5-dihydrothieno[2,3-c]pyrrol-6-one is sourced from PubChem (CID 59023141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).