1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;thiophene;2-thiophen-2-ylthiophene

C18H14N2O2S3 — CID 175487267

IUPAC1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;thiophene;2-thiophen-2-ylthiophene
SMILESO=C1Nc2cc[nH]c2C1=O.c1ccsc1.c1csc(-c2cccs2)c1
InChIInChI=1S/C8H6S2.C6H4N2O2.C4H4S/c1-3-7(9-5-1)8-4-2-6-10-8;9-5-4-3(1-2-7-4)8-6(5)10;1-2-4-5-3-1/h1-6H;1-2,7H,(H,8,9,10);1-4H
InChIKeyWPKIFNOQSSEVHT-UHFFFAOYSA-N
MW386.52 g/mol
LogP5.37
Rot. Bonds1

About 1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;thiophene;2-thiophen-2-ylthiophene

1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;thiophene;2-thiophen-2-ylthiophene (PubChem CID 175487267) has the molecular formula C18H14N2O2S3 and a molecular weight of 386.52 g/mol. Its IUPAC name is 1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;thiophene;2-thiophen-2-ylthiophene.

Molecular Properties

Compound Name1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;thiophene;2-thiophen-2-ylthiophene
PubChem CID175487267
Molecular FormulaC18H14N2O2S3
Molecular Weight386.52 g/mol
Exact Mass386.02
IUPAC Name1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;thiophene;2-thiophen-2-ylthiophene
SMILESO=C1Nc2cc[nH]c2C1=O.c1ccsc1.c1csc(-c2cccs2)c1
InChIInChI=1S/C8H6S2.C6H4N2O2.C4H4S/c1-3-7(9-5-1)8-4-2-6-10-8;9-5-4-3(1-2-7-4)8-6(5)10;1-2-4-5-3-1/h1-6H;1-2,7H,(H,8,9,10);1-4H
InChIKeyWPKIFNOQSSEVHT-UHFFFAOYSA-N
XLogP5.37
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

thiophene;2-thiophen-2-ylthiophene
CID 158809122
calcium;1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;carbonate
CID 175535209
1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;3,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene
CID 175241092
thieno[3,2-b]thiophene;2-thiophen-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
CID 174225728
acetonitrile;2-thiophen-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
CID 175553313
(2S)-2-amino-3-hydroxypropanoic acid;1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
CID 173032765
4-fluoro-2-methyl-5-thiophen-2-yl-1H-pyrazol-3-one
CID 102224523
bis(1H-indole-2,3-dione);thieno[3,2-b]thiophene
CID 158279333
1,4-dihydropyrrolo[3,2-b]pyridine-2,3,5-trione
CID 146048162
1-methyl-3-thiophen-2-yl-5H-1,2,5-benzotriazepin-4-one
CID 102283304
3-propyl-2-thiophen-2-yl-1H-pyrrole
CID 102596824
thiophene;2-thiophen-2-yl-3-(3-thiophen-2-ylthiophen-2-yl)thiophene
CID 161377996

Frequently Asked Questions

What is the IUPAC name of 1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;thiophene;2-thiophen-2-ylthiophene?
The IUPAC name of 1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;thiophene;2-thiophen-2-ylthiophene (CID 175487267) is 1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;thiophene;2-thiophen-2-ylthiophene.
What is the SMILES notation for 1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;thiophene;2-thiophen-2-ylthiophene?
The canonical SMILES for 1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;thiophene;2-thiophen-2-ylthiophene is O=C1Nc2cc[nH]c2C1=O.c1ccsc1.c1csc(-c2cccs2)c1.
What is the InChIKey of 1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;thiophene;2-thiophen-2-ylthiophene?
The InChIKey is WPKIFNOQSSEVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6S2.C6H4N2O2.C4H4S/c1-3-7(9-5-1)8-4-2-6-10-8;9-5-4-3(1-2-7-4)8-6(5)10;1-2-4-5-3-1/h1-6H;1-2,7H,(H,8,9,10);1-4H.
What are the key properties of 1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;thiophene;2-thiophen-2-ylthiophene?
1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;thiophene;2-thiophen-2-ylthiophene has a molecular weight of 386.52 g/mol, XLogP of 5.37, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione;thiophene;2-thiophen-2-ylthiophene is sourced from PubChem (CID 175487267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).