3-methyl-3-methylsulfanyl-1-phenylpyrrolo[2,3-b]pyridin-2-one

C15H14N2OS — CID 14739490

IUPAC3-methyl-3-methylsulfanyl-1-phenylpyrrolo[2,3-b]pyridin-2-one
SMILESCSC1(C)C(=O)N(c2ccccc2)c2ncccc21
InChIInChI=1S/C15H14N2OS/c1-15(19-2)12-9-6-10-16-13(12)17(14(15)18)11-7-4-3-5-8-11/h3-10H,1-2H3
InChIKeyGZAVAFDPQWYDPE-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.34
Rot. Bonds2

About 3-methyl-3-methylsulfanyl-1-phenylpyrrolo[2,3-b]pyridin-2-one

3-methyl-3-methylsulfanyl-1-phenylpyrrolo[2,3-b]pyridin-2-one (PubChem CID 14739490) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 3-methyl-3-methylsulfanyl-1-phenylpyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3-methyl-3-methylsulfanyl-1-phenylpyrrolo[2,3-b]pyridin-2-one
PubChem CID14739490
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name3-methyl-3-methylsulfanyl-1-phenylpyrrolo[2,3-b]pyridin-2-one
SMILESCSC1(C)C(=O)N(c2ccccc2)c2ncccc21
InChIInChI=1S/C15H14N2OS/c1-15(19-2)12-9-6-10-16-13(12)17(14(15)18)11-7-4-3-5-8-11/h3-10H,1-2H3
InChIKeyGZAVAFDPQWYDPE-UHFFFAOYSA-N
XLogP3.34
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-methylsulfanyl-1-phenylpyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 3-methyl-3-methylsulfanyl-1-phenylpyrrolo[2,3-b]pyridin-2-one (CID 14739490) is 3-methyl-3-methylsulfanyl-1-phenylpyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 3-methyl-3-methylsulfanyl-1-phenylpyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 3-methyl-3-methylsulfanyl-1-phenylpyrrolo[2,3-b]pyridin-2-one is CSC1(C)C(=O)N(c2ccccc2)c2ncccc21.
What is the InChIKey of 3-methyl-3-methylsulfanyl-1-phenylpyrrolo[2,3-b]pyridin-2-one?
The InChIKey is GZAVAFDPQWYDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-15(19-2)12-9-6-10-16-13(12)17(14(15)18)11-7-4-3-5-8-11/h3-10H,1-2H3.
What are the key properties of 3-methyl-3-methylsulfanyl-1-phenylpyrrolo[2,3-b]pyridin-2-one?
3-methyl-3-methylsulfanyl-1-phenylpyrrolo[2,3-b]pyridin-2-one has a molecular weight of 270.36 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-methylsulfanyl-1-phenylpyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 14739490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).