3-hydroxy-1,4-dithiophen-2-yl-2H-pyrrolo[3,4-c]pyrrol-6-one

C14H8N2O2S2 — CID 135742056

IUPAC3-hydroxy-1,4-dithiophen-2-yl-2H-pyrrolo[3,4-c]pyrrol-6-one
SMILESO=C1N=C(c2cccs2)c2c(O)[nH]c(-c3cccs3)c21
InChIInChI=1S/C14H8N2O2S2/c17-13-9-10(12(16-13)8-4-2-6-20-8)14(18)15-11(9)7-3-1-5-19-7/h1-6,15,18H
InChIKeyZLIGHMSLZXFKKF-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.50
Rot. Bonds2

About 3-hydroxy-1,4-dithiophen-2-yl-2H-pyrrolo[3,4-c]pyrrol-6-one

3-hydroxy-1,4-dithiophen-2-yl-2H-pyrrolo[3,4-c]pyrrol-6-one (PubChem CID 135742056) has the molecular formula C14H8N2O2S2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-hydroxy-1,4-dithiophen-2-yl-2H-pyrrolo[3,4-c]pyrrol-6-one.

Molecular Properties

Compound Name3-hydroxy-1,4-dithiophen-2-yl-2H-pyrrolo[3,4-c]pyrrol-6-one
PubChem CID135742056
Molecular FormulaC14H8N2O2S2
Molecular Weight300.36 g/mol
Exact Mass300.00
IUPAC Name3-hydroxy-1,4-dithiophen-2-yl-2H-pyrrolo[3,4-c]pyrrol-6-one
SMILESO=C1N=C(c2cccs2)c2c(O)[nH]c(-c3cccs3)c21
InChIInChI=1S/C14H8N2O2S2/c17-13-9-10(12(16-13)8-4-2-6-20-8)14(18)15-11(9)7-3-1-5-19-7/h1-6,15,18H
InChIKeyZLIGHMSLZXFKKF-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1,4-dithiophen-2-yl-2H-pyrrolo[3,4-c]pyrrol-6-one?
The IUPAC name of 3-hydroxy-1,4-dithiophen-2-yl-2H-pyrrolo[3,4-c]pyrrol-6-one (CID 135742056) is 3-hydroxy-1,4-dithiophen-2-yl-2H-pyrrolo[3,4-c]pyrrol-6-one.
What is the SMILES notation for 3-hydroxy-1,4-dithiophen-2-yl-2H-pyrrolo[3,4-c]pyrrol-6-one?
The canonical SMILES for 3-hydroxy-1,4-dithiophen-2-yl-2H-pyrrolo[3,4-c]pyrrol-6-one is O=C1N=C(c2cccs2)c2c(O)[nH]c(-c3cccs3)c21.
What is the InChIKey of 3-hydroxy-1,4-dithiophen-2-yl-2H-pyrrolo[3,4-c]pyrrol-6-one?
The InChIKey is ZLIGHMSLZXFKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O2S2/c17-13-9-10(12(16-13)8-4-2-6-20-8)14(18)15-11(9)7-3-1-5-19-7/h1-6,15,18H.
What are the key properties of 3-hydroxy-1,4-dithiophen-2-yl-2H-pyrrolo[3,4-c]pyrrol-6-one?
3-hydroxy-1,4-dithiophen-2-yl-2H-pyrrolo[3,4-c]pyrrol-6-one has a molecular weight of 300.36 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,4-dithiophen-2-yl-2H-pyrrolo[3,4-c]pyrrol-6-one is sourced from PubChem (CID 135742056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).