6-hydroxy-1,3-dimethyl-5-phenyl-6H-thieno[3,4-c]pyrrol-4-one

C14H13NO2S — CID 102081922

IUPAC6-hydroxy-1,3-dimethyl-5-phenyl-6H-thieno[3,4-c]pyrrol-4-one
SMILESCc1sc(C)c2c1C(=O)N(c1ccccc1)C2O
InChIInChI=1S/C14H13NO2S/c1-8-11-12(9(2)18-8)14(17)15(13(11)16)10-6-4-3-5-7-10/h3-7,13,16H,1-2H3
InChIKeyABWDVJPIYUMGKL-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.02
Rot. Bonds1

About 6-hydroxy-1,3-dimethyl-5-phenyl-6H-thieno[3,4-c]pyrrol-4-one

6-hydroxy-1,3-dimethyl-5-phenyl-6H-thieno[3,4-c]pyrrol-4-one (PubChem CID 102081922) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 6-hydroxy-1,3-dimethyl-5-phenyl-6H-thieno[3,4-c]pyrrol-4-one.

Molecular Properties

Compound Name6-hydroxy-1,3-dimethyl-5-phenyl-6H-thieno[3,4-c]pyrrol-4-one
PubChem CID102081922
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name6-hydroxy-1,3-dimethyl-5-phenyl-6H-thieno[3,4-c]pyrrol-4-one
SMILESCc1sc(C)c2c1C(=O)N(c1ccccc1)C2O
InChIInChI=1S/C14H13NO2S/c1-8-11-12(9(2)18-8)14(17)15(13(11)16)10-6-4-3-5-7-10/h3-7,13,16H,1-2H3
InChIKeyABWDVJPIYUMGKL-UHFFFAOYSA-N
XLogP3.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 139217737
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CID 118066167
2,4,5-trimethyl-1,3-diphenyl-2H-imidazole
CID 126693775
2-[3-(dimethylamino)phenyl]-3-hydroxy-3H-isoindol-1-one
CID 141211031
2-hydroxy-3-methoxy-1-phenyl-2H-pyrrol-5-one
CID 11608140
5-methyl-2-oxo-3-phenyl-1,3-thiazol-4-olate
CID 20614837
7-(3-tert-butylcarbazol-9-yl)-3-hydroxy-2-(4-phenylphenyl)-3H-isoindol-1-one
CID 166989433
2-[4-(4-butan-2-yloxy-1-hydroxy-9-methoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]acetic acid
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CID 14084640
(3R,4S)-3-hydroxy-1,4-diphenylazetidin-2-one
CID 11424956
3-hydroxy-2-(4-methoxyphenyl)-3H-isoindol-1-one
CID 3688143
(2S)-2-(5-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 9006896

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,3-dimethyl-5-phenyl-6H-thieno[3,4-c]pyrrol-4-one?
The IUPAC name of 6-hydroxy-1,3-dimethyl-5-phenyl-6H-thieno[3,4-c]pyrrol-4-one (CID 102081922) is 6-hydroxy-1,3-dimethyl-5-phenyl-6H-thieno[3,4-c]pyrrol-4-one.
What is the SMILES notation for 6-hydroxy-1,3-dimethyl-5-phenyl-6H-thieno[3,4-c]pyrrol-4-one?
The canonical SMILES for 6-hydroxy-1,3-dimethyl-5-phenyl-6H-thieno[3,4-c]pyrrol-4-one is Cc1sc(C)c2c1C(=O)N(c1ccccc1)C2O.
What is the InChIKey of 6-hydroxy-1,3-dimethyl-5-phenyl-6H-thieno[3,4-c]pyrrol-4-one?
The InChIKey is ABWDVJPIYUMGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c1-8-11-12(9(2)18-8)14(17)15(13(11)16)10-6-4-3-5-7-10/h3-7,13,16H,1-2H3.
What are the key properties of 6-hydroxy-1,3-dimethyl-5-phenyl-6H-thieno[3,4-c]pyrrol-4-one?
6-hydroxy-1,3-dimethyl-5-phenyl-6H-thieno[3,4-c]pyrrol-4-one has a molecular weight of 259.33 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,3-dimethyl-5-phenyl-6H-thieno[3,4-c]pyrrol-4-one is sourced from PubChem (CID 102081922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).