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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Related Compounds

3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione
CID 135742056
2,5-Diethylhexyl-3,6-dithiophen-2-ylpyrrolo[3,4-c]pyrrole-1,4-dione
CID 137003846
1,4-Bis[5-[3,5-bis(trifluoromethyl)phenyl]thiophen-2-yl]-5-dodecyl-6-hydroxypyrrolo[3,4-c]pyrrol-3-one
CID 136954727
6-Hydroxy-5-methyl-1,4-bis[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]thiophen-2-yl]pyrrolo[3,4-c]pyrrol-3-one
CID 137052356
6-Hydroxy-5-methyl-1,4-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyrrolo[3,4-c]pyrrol-3-one
CID 137059133
6-Hydroxy-5-methyl-1,4-bis[5-(3,4,5-trifluorophenyl)thiophen-2-yl]pyrrolo[3,4-c]pyrrol-3-one
CID 137072221
5-Ethyl-1,4-bis[5-(4-fluorophenyl)thiophen-2-yl]-6-hydroxypyrrolo[3,4-c]pyrrol-3-one
CID 137083241
4-(4-fluoro-2,3-dihydrothiophen-2-yl)-1-(4-fluorothiophen-2-yl)-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one
CID 137545935
1,4-bis(4-fluorothiophen-2-yl)-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one
CID 137545936
1-(4-fluorothiophen-2-yl)-3-hydroxy-4-(4-methylthiophen-2-yl)-2H-pyrrolo[3,4-c]pyrrol-6-one
CID 173792431
bis(dodecanoic acid);3-hydroxy-1,4-dithiophen-2-yl-2H-pyrrolo[3,4-c]pyrrol-6-one
CID 139089389
Ethyl 2-(6-hydroxy-3-oxo-1,4-dithiophen-2-ylpyrrolo[3,4-c]pyrrol-5-yl)acetate
CID 139202975

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).