5-thiophen-3-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

C11H8N2OS — CID 15504071

IUPAC5-thiophen-3-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Cc2cc(-c3ccsc3)cnc2N1
InChIInChI=1S/C11H8N2OS/c14-10-4-8-3-9(5-12-11(8)13-10)7-1-2-15-6-7/h1-3,5-6H,4H2,(H,12,13,14)
InChIKeyVWWOPAKWVNZTTP-UHFFFAOYSA-N
MW216.27 g/mol
LogP2.30
Rot. Bonds1

About 5-thiophen-3-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

5-thiophen-3-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (PubChem CID 15504071) has the molecular formula C11H8N2OS and a molecular weight of 216.27 g/mol. Its IUPAC name is 5-thiophen-3-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name5-thiophen-3-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
PubChem CID15504071
Molecular FormulaC11H8N2OS
Molecular Weight216.27 g/mol
Exact Mass216.04
IUPAC Name5-thiophen-3-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Cc2cc(-c3ccsc3)cnc2N1
InChIInChI=1S/C11H8N2OS/c14-10-4-8-3-9(5-12-11(8)13-10)7-1-2-15-6-7/h1-3,5-6H,4H2,(H,12,13,14)
InChIKeyVWWOPAKWVNZTTP-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-3-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 5-thiophen-3-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (CID 15504071) is 5-thiophen-3-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 5-thiophen-3-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 5-thiophen-3-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is O=C1Cc2cc(-c3ccsc3)cnc2N1.
What is the InChIKey of 5-thiophen-3-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is VWWOPAKWVNZTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2OS/c14-10-4-8-3-9(5-12-11(8)13-10)7-1-2-15-6-7/h1-3,5-6H,4H2,(H,12,13,14).
What are the key properties of 5-thiophen-3-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
5-thiophen-3-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 216.27 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-3-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 15504071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).