5-phenylsulfanyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one

C13H10N2OS — CID 18973044

IUPAC5-phenylsulfanyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one
SMILESO=C1Cc2cc(Sc3ccccc3)ncc2N1
InChIInChI=1S/C13H10N2OS/c16-12-6-9-7-13(14-8-11(9)15-12)17-10-4-2-1-3-5-10/h1-5,7-8H,6H2,(H,15,16)
InChIKeyWSUHHRSHYJKICM-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.73
Rot. Bonds2

About 5-phenylsulfanyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one

5-phenylsulfanyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one (PubChem CID 18973044) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 5-phenylsulfanyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one.

Molecular Properties

Compound Name5-phenylsulfanyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one
PubChem CID18973044
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name5-phenylsulfanyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one
SMILESO=C1Cc2cc(Sc3ccccc3)ncc2N1
InChIInChI=1S/C13H10N2OS/c16-12-6-9-7-13(14-8-11(9)15-12)17-10-4-2-1-3-5-10/h1-5,7-8H,6H2,(H,15,16)
InChIKeyWSUHHRSHYJKICM-UHFFFAOYSA-N
XLogP2.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-phenylsulfanyl-1,3-dihydroindol-2-one
CID 21481215
5-fluoro-1,3-dihydropyrrolo[2,3-c]pyridin-2-one
CID 137347254
5-ethyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one
CID 130380646
6-phenyl-1,3-dihydroindol-2-one
CID 10536384
1,3-dihydroindol-2-one;trihydrochloride
CID 66960013
2-(2-nitro-5-phenylsulfanylphenyl)acetic acid;5-phenylsulfanyl-1,3-dihydroindol-2-one
CID 159958365
5-(2-phenylethynyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 15504064
1,3-dihydroindol-2-one;ethane
CID 54350510
1,3-dihydropyrrolo[2,3-c]quinolin-2-one
CID 178065999
4-phenylsulfanyl-2H-triazole
CID 10012465
1,3-dihydroindol-2-one;pyrrolo[3,2-b]pyrrole
CID 175423185
5-[2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one
CID 163579784

Frequently Asked Questions

What is the IUPAC name of 5-phenylsulfanyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one?
The IUPAC name of 5-phenylsulfanyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one (CID 18973044) is 5-phenylsulfanyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one.
What is the SMILES notation for 5-phenylsulfanyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one?
The canonical SMILES for 5-phenylsulfanyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one is O=C1Cc2cc(Sc3ccccc3)ncc2N1.
What is the InChIKey of 5-phenylsulfanyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one?
The InChIKey is WSUHHRSHYJKICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c16-12-6-9-7-13(14-8-11(9)15-12)17-10-4-2-1-3-5-10/h1-5,7-8H,6H2,(H,15,16).
What are the key properties of 5-phenylsulfanyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one?
5-phenylsulfanyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one has a molecular weight of 242.30 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylsulfanyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one is sourced from PubChem (CID 18973044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).