4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one

C15H11NO3S — CID 647511

IUPAC4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one
SMILESO=C1NC(c2ccccc2)C(C(=O)c2cccs2)=C1O
InChIInChI=1S/C15H11NO3S/c17-13(10-7-4-8-20-10)11-12(16-15(19)14(11)18)9-5-2-1-3-6-9/h1-8,12,18H,(H,16,19)
InChIKeyYQTDVQYKXWIYJG-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.61
Rot. Bonds3

About 4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one

4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one (PubChem CID 647511) has the molecular formula C15H11NO3S and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one
PubChem CID647511
Molecular FormulaC15H11NO3S
Molecular Weight285.32 g/mol
Exact Mass285.05
IUPAC Name4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one
SMILESO=C1NC(c2ccccc2)C(C(=O)c2cccs2)=C1O
InChIInChI=1S/C15H11NO3S/c17-13(10-7-4-8-20-10)11-12(16-15(19)14(11)18)9-5-2-1-3-6-9/h1-8,12,18H,(H,16,19)
InChIKeyYQTDVQYKXWIYJG-UHFFFAOYSA-N
XLogP2.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one?
The IUPAC name of 4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one (CID 647511) is 4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one?
The canonical SMILES for 4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one is O=C1NC(c2ccccc2)C(C(=O)c2cccs2)=C1O.
What is the InChIKey of 4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one?
The InChIKey is YQTDVQYKXWIYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3S/c17-13(10-7-4-8-20-10)11-12(16-15(19)14(11)18)9-5-2-1-3-6-9/h1-8,12,18H,(H,16,19).
What are the key properties of 4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one?
4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one has a molecular weight of 285.32 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 647511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).