6-hydroxy-5-methyl-1,4-dithiophen-2-ylpyrrolo[3,4-c]pyrrol-3-one

C15H10N2O2S2 — CID 137126024

IUPAC6-hydroxy-5-methyl-1,4-dithiophen-2-ylpyrrolo[3,4-c]pyrrol-3-one
SMILESCn1c(O)c2c(c1-c1cccs1)C(=O)N=C2c1cccs1
InChIInChI=1S/C15H10N2O2S2/c1-17-13(9-5-3-7-21-9)11-10(15(17)19)12(16-14(11)18)8-4-2-6-20-8/h2-7,19H,1H3
InChIKeyKOVZJJOJAVRRNN-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.51
Rot. Bonds2

About 6-hydroxy-5-methyl-1,4-dithiophen-2-ylpyrrolo[3,4-c]pyrrol-3-one

6-hydroxy-5-methyl-1,4-dithiophen-2-ylpyrrolo[3,4-c]pyrrol-3-one (PubChem CID 137126024) has the molecular formula C15H10N2O2S2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-hydroxy-5-methyl-1,4-dithiophen-2-ylpyrrolo[3,4-c]pyrrol-3-one.

Molecular Properties

Compound Name6-hydroxy-5-methyl-1,4-dithiophen-2-ylpyrrolo[3,4-c]pyrrol-3-one
PubChem CID137126024
Molecular FormulaC15H10N2O2S2
Molecular Weight314.39 g/mol
Exact Mass314.02
IUPAC Name6-hydroxy-5-methyl-1,4-dithiophen-2-ylpyrrolo[3,4-c]pyrrol-3-one
SMILESCn1c(O)c2c(c1-c1cccs1)C(=O)N=C2c1cccs1
InChIInChI=1S/C15H10N2O2S2/c1-17-13(9-5-3-7-21-9)11-10(15(17)19)12(16-14(11)18)8-4-2-6-20-8/h2-7,19H,1H3
InChIKeyKOVZJJOJAVRRNN-UHFFFAOYSA-N
XLogP3.51
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-methyl-1,4-dithiophen-2-ylpyrrolo[3,4-c]pyrrol-3-one?
The IUPAC name of 6-hydroxy-5-methyl-1,4-dithiophen-2-ylpyrrolo[3,4-c]pyrrol-3-one (CID 137126024) is 6-hydroxy-5-methyl-1,4-dithiophen-2-ylpyrrolo[3,4-c]pyrrol-3-one.
What is the SMILES notation for 6-hydroxy-5-methyl-1,4-dithiophen-2-ylpyrrolo[3,4-c]pyrrol-3-one?
The canonical SMILES for 6-hydroxy-5-methyl-1,4-dithiophen-2-ylpyrrolo[3,4-c]pyrrol-3-one is Cn1c(O)c2c(c1-c1cccs1)C(=O)N=C2c1cccs1.
What is the InChIKey of 6-hydroxy-5-methyl-1,4-dithiophen-2-ylpyrrolo[3,4-c]pyrrol-3-one?
The InChIKey is KOVZJJOJAVRRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2S2/c1-17-13(9-5-3-7-21-9)11-10(15(17)19)12(16-14(11)18)8-4-2-6-20-8/h2-7,19H,1H3.
What are the key properties of 6-hydroxy-5-methyl-1,4-dithiophen-2-ylpyrrolo[3,4-c]pyrrol-3-one?
6-hydroxy-5-methyl-1,4-dithiophen-2-ylpyrrolo[3,4-c]pyrrol-3-one has a molecular weight of 314.39 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-methyl-1,4-dithiophen-2-ylpyrrolo[3,4-c]pyrrol-3-one is sourced from PubChem (CID 137126024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).