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

C11H8N2OS — CID 139404509

IUPAC4-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyrrol-6-one
SMILESO=C1NC(c2cccnc2)c2ccsc21
InChIInChI=1S/C11H8N2OS/c14-11-10-8(3-5-15-10)9(13-11)7-2-1-4-12-6-7/h1-6,9H,(H,13,14)
InChIKeyUFXBIZFYZCHQGH-UHFFFAOYSA-N
MW216.27 g/mol
LogP1.98
Rot. Bonds1

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

4-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyrrol-6-one (PubChem CID 139404509) has the molecular formula C11H8N2OS and a molecular weight of 216.27 g/mol. Its IUPAC name is 4-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyrrol-6-one.

Molecular Properties

Compound Name4-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyrrol-6-one
PubChem CID139404509
Molecular FormulaC11H8N2OS
Molecular Weight216.27 g/mol
Exact Mass216.04
IUPAC Name4-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyrrol-6-one
SMILESO=C1NC(c2cccnc2)c2ccsc21
InChIInChI=1S/C11H8N2OS/c14-11-10-8(3-5-15-10)9(13-11)7-2-1-4-12-6-7/h1-6,9H,(H,13,14)
InChIKeyUFXBIZFYZCHQGH-UHFFFAOYSA-N
XLogP1.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyrrol-6-one?
The IUPAC name of 4-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyrrol-6-one (CID 139404509) is 4-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyrrol-6-one.
What is the SMILES notation for 4-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyrrol-6-one?
The canonical SMILES for 4-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyrrol-6-one is O=C1NC(c2cccnc2)c2ccsc21.
What is the InChIKey of 4-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyrrol-6-one?
The InChIKey is UFXBIZFYZCHQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2OS/c14-11-10-8(3-5-15-10)9(13-11)7-2-1-4-12-6-7/h1-6,9H,(H,13,14).
What are the key properties of 4-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyrrol-6-one?
4-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyrrol-6-one has a molecular weight of 216.27 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyrrol-6-one is sourced from PubChem (CID 139404509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).