6-methyl-2-(4-methylphenyl)-4-methylsulfanylpyrrolo[3,4-c]pyridine-1,3-dione

C16H14N2O2S — CID 1490708

IUPAC6-methyl-2-(4-methylphenyl)-4-methylsulfanylpyrrolo[3,4-c]pyridine-1,3-dione
SMILESCSc1nc(C)cc2c1C(=O)N(c1ccc(C)cc1)C2=O
InChIInChI=1S/C16H14N2O2S/c1-9-4-6-11(7-5-9)18-15(19)12-8-10(2)17-14(21-3)13(12)16(18)20/h4-8H,1-3H3
InChIKeyXQSHVJXGNLAFLE-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.22
Rot. Bonds2

About 6-methyl-2-(4-methylphenyl)-4-methylsulfanylpyrrolo[3,4-c]pyridine-1,3-dione

6-methyl-2-(4-methylphenyl)-4-methylsulfanylpyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 1490708) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 6-methyl-2-(4-methylphenyl)-4-methylsulfanylpyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name6-methyl-2-(4-methylphenyl)-4-methylsulfanylpyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID1490708
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name6-methyl-2-(4-methylphenyl)-4-methylsulfanylpyrrolo[3,4-c]pyridine-1,3-dione
SMILESCSc1nc(C)cc2c1C(=O)N(c1ccc(C)cc1)C2=O
InChIInChI=1S/C16H14N2O2S/c1-9-4-6-11(7-5-9)18-15(19)12-8-10(2)17-14(21-3)13(12)16(18)20/h4-8H,1-3H3
InChIKeyXQSHVJXGNLAFLE-UHFFFAOYSA-N
XLogP3.22
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylphenyl)-4-methylsulfanylpyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 6-methyl-2-(4-methylphenyl)-4-methylsulfanylpyrrolo[3,4-c]pyridine-1,3-dione (CID 1490708) is 6-methyl-2-(4-methylphenyl)-4-methylsulfanylpyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 6-methyl-2-(4-methylphenyl)-4-methylsulfanylpyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 6-methyl-2-(4-methylphenyl)-4-methylsulfanylpyrrolo[3,4-c]pyridine-1,3-dione is CSc1nc(C)cc2c1C(=O)N(c1ccc(C)cc1)C2=O.
What is the InChIKey of 6-methyl-2-(4-methylphenyl)-4-methylsulfanylpyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is XQSHVJXGNLAFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-9-4-6-11(7-5-9)18-15(19)12-8-10(2)17-14(21-3)13(12)16(18)20/h4-8H,1-3H3.
What are the key properties of 6-methyl-2-(4-methylphenyl)-4-methylsulfanylpyrrolo[3,4-c]pyridine-1,3-dione?
6-methyl-2-(4-methylphenyl)-4-methylsulfanylpyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 298.37 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylphenyl)-4-methylsulfanylpyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 1490708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).