3-(3H-indol-2-ylsulfanyl)-1-phenylpyrrolidin-2-one

C18H16N2OS — CID 102557886

IUPAC3-(3H-indol-2-ylsulfanyl)-1-phenylpyrrolidin-2-one
SMILESO=C1C(SC2=Nc3ccccc3C2)CCN1c1ccccc1
InChIInChI=1S/C18H16N2OS/c21-18-16(10-11-20(18)14-7-2-1-3-8-14)22-17-12-13-6-4-5-9-15(13)19-17/h1-9,16H,10-12H2
InChIKeyCPKLTAXGSARAPB-UHFFFAOYSA-N
MW308.41 g/mol
LogP3.81
Rot. Bonds2

About 3-(3H-indol-2-ylsulfanyl)-1-phenylpyrrolidin-2-one

3-(3H-indol-2-ylsulfanyl)-1-phenylpyrrolidin-2-one (PubChem CID 102557886) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 3-(3H-indol-2-ylsulfanyl)-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(3H-indol-2-ylsulfanyl)-1-phenylpyrrolidin-2-one
PubChem CID102557886
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC Name3-(3H-indol-2-ylsulfanyl)-1-phenylpyrrolidin-2-one
SMILESO=C1C(SC2=Nc3ccccc3C2)CCN1c1ccccc1
InChIInChI=1S/C18H16N2OS/c21-18-16(10-11-20(18)14-7-2-1-3-8-14)22-17-12-13-6-4-5-9-15(13)19-17/h1-9,16H,10-12H2
InChIKeyCPKLTAXGSARAPB-UHFFFAOYSA-N
XLogP3.81
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3H-indol-2-ylsulfanyl)-1-phenylpyrrolidin-2-one?
The IUPAC name of 3-(3H-indol-2-ylsulfanyl)-1-phenylpyrrolidin-2-one (CID 102557886) is 3-(3H-indol-2-ylsulfanyl)-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 3-(3H-indol-2-ylsulfanyl)-1-phenylpyrrolidin-2-one?
The canonical SMILES for 3-(3H-indol-2-ylsulfanyl)-1-phenylpyrrolidin-2-one is O=C1C(SC2=Nc3ccccc3C2)CCN1c1ccccc1.
What is the InChIKey of 3-(3H-indol-2-ylsulfanyl)-1-phenylpyrrolidin-2-one?
The InChIKey is CPKLTAXGSARAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c21-18-16(10-11-20(18)14-7-2-1-3-8-14)22-17-12-13-6-4-5-9-15(13)19-17/h1-9,16H,10-12H2.
What are the key properties of 3-(3H-indol-2-ylsulfanyl)-1-phenylpyrrolidin-2-one?
3-(3H-indol-2-ylsulfanyl)-1-phenylpyrrolidin-2-one has a molecular weight of 308.41 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-indol-2-ylsulfanyl)-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 102557886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).