2-hydroxy-3,6-dithiophen-2-yl-1H-pyrrolo[3,2-b]pyrrol-5-one

C14H8N2O2S2 — CID 135974067

IUPAC2-hydroxy-3,6-dithiophen-2-yl-1H-pyrrolo[3,2-b]pyrrol-5-one
SMILESO=C1N=c2c(-c3cccs3)c(O)[nH]c2=C1c1cccs1
InChIInChI=1S/C14H8N2O2S2/c17-13-9(7-3-1-5-19-7)11-12(16-13)10(14(18)15-11)8-4-2-6-20-8/h1-6,15,18H
InChIKeyDVDWNGIXAFAZDA-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.87
Rot. Bonds2

About 2-hydroxy-3,6-dithiophen-2-yl-1H-pyrrolo[3,2-b]pyrrol-5-one

2-hydroxy-3,6-dithiophen-2-yl-1H-pyrrolo[3,2-b]pyrrol-5-one (PubChem CID 135974067) has the molecular formula C14H8N2O2S2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-hydroxy-3,6-dithiophen-2-yl-1H-pyrrolo[3,2-b]pyrrol-5-one.

Molecular Properties

Compound Name2-hydroxy-3,6-dithiophen-2-yl-1H-pyrrolo[3,2-b]pyrrol-5-one
PubChem CID135974067
Molecular FormulaC14H8N2O2S2
Molecular Weight300.36 g/mol
Exact Mass300.00
IUPAC Name2-hydroxy-3,6-dithiophen-2-yl-1H-pyrrolo[3,2-b]pyrrol-5-one
SMILESO=C1N=c2c(-c3cccs3)c(O)[nH]c2=C1c1cccs1
InChIInChI=1S/C14H8N2O2S2/c17-13-9(7-3-1-5-19-7)11-12(16-13)10(14(18)15-11)8-4-2-6-20-8/h1-6,15,18H
InChIKeyDVDWNGIXAFAZDA-UHFFFAOYSA-N
XLogP1.87
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-3,6-dithiophen-2-yl-1H-pyrrolo[3,2-b]pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-6-oxo-1-phenyl-4-thiophen-2-yl-2H-cyclopenta[c]pyrrole-5-carbonitrile
CID 136734593
6,7-dihydroxy-3-thiophen-2-ylchromen-2-one
CID 23371942
bis(dodecanoic acid);3-hydroxy-1,4-dithiophen-2-yl-2H-pyrrolo[3,4-c]pyrrol-6-one
CID 139089389
7-chloro-4-hydroxy-3-thiophen-2-yl-1H-1,5-naphthyridin-2-one
CID 54730141
3,6-dithiophen-2-ylbenzene-1,2-diol
CID 122606222
6-chloro-5-thiophen-2-yl-1H-pyrimidine-2,4-dione
CID 23648522
thiophen-2-yl-(5-thiophen-2-yl-1H-imidazol-2-yl)methanone
CID 10587435
2-methyl-1-thiophen-2-yl-9H-carbazole-3,4-dione
CID 11779161
6-hydroxy-5-methyl-1,4-dithiophen-2-ylpyrrolo[3,4-c]pyrrol-3-one
CID 137126024
dimethyl 3,4-dithiophen-2-yl-1H-pyrrole-2,5-dicarboxylate
CID 102258239
1,3,6,8-tetrathiophen-2-ylpyrene-2,7-diol
CID 163210788
1-(4-bromo-2,5-dihexylthiophen-3-yl)-3-hydroxy-4-thiophen-2-yl-2H-pyrrolo[3,4-c]pyrrol-6-one
CID 136592721

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,6-dithiophen-2-yl-1H-pyrrolo[3,2-b]pyrrol-5-one?
The IUPAC name of 2-hydroxy-3,6-dithiophen-2-yl-1H-pyrrolo[3,2-b]pyrrol-5-one (CID 135974067) is 2-hydroxy-3,6-dithiophen-2-yl-1H-pyrrolo[3,2-b]pyrrol-5-one.
What is the SMILES notation for 2-hydroxy-3,6-dithiophen-2-yl-1H-pyrrolo[3,2-b]pyrrol-5-one?
The canonical SMILES for 2-hydroxy-3,6-dithiophen-2-yl-1H-pyrrolo[3,2-b]pyrrol-5-one is O=C1N=c2c(-c3cccs3)c(O)[nH]c2=C1c1cccs1.
What is the InChIKey of 2-hydroxy-3,6-dithiophen-2-yl-1H-pyrrolo[3,2-b]pyrrol-5-one?
The InChIKey is DVDWNGIXAFAZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O2S2/c17-13-9(7-3-1-5-19-7)11-12(16-13)10(14(18)15-11)8-4-2-6-20-8/h1-6,15,18H.
What are the key properties of 2-hydroxy-3,6-dithiophen-2-yl-1H-pyrrolo[3,2-b]pyrrol-5-one?
2-hydroxy-3,6-dithiophen-2-yl-1H-pyrrolo[3,2-b]pyrrol-5-one has a molecular weight of 300.36 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,6-dithiophen-2-yl-1H-pyrrolo[3,2-b]pyrrol-5-one is sourced from PubChem (CID 135974067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).