(2S)-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-1,2-dihydropyrrol-5-one

C13H9NO3S2 — CID 7236352

IUPAC(2S)-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-1,2-dihydropyrrol-5-one
SMILESO=C1N[C@H](c2cccs2)C(C(=O)c2cccs2)=C1O
InChIInChI=1S/C13H9NO3S2/c15-11(8-4-2-6-19-8)9-10(7-3-1-5-18-7)14-13(17)12(9)16/h1-6,10,16H,(H,14,17)/t10-/m1/s1
InChIKeyKCXBDIVMYROFRT-SNVBAGLBSA-N
MW291.35 g/mol
LogP2.68
Rot. Bonds3

About (2S)-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-1,2-dihydropyrrol-5-one

(2S)-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-1,2-dihydropyrrol-5-one (PubChem CID 7236352) has the molecular formula C13H9NO3S2 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2S)-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name(2S)-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-1,2-dihydropyrrol-5-one
PubChem CID7236352
Molecular FormulaC13H9NO3S2
Molecular Weight291.35 g/mol
Exact Mass291.00
IUPAC Name(2S)-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-1,2-dihydropyrrol-5-one
SMILESO=C1N[C@H](c2cccs2)C(C(=O)c2cccs2)=C1O
InChIInChI=1S/C13H9NO3S2/c15-11(8-4-2-6-19-8)9-10(7-3-1-5-18-7)14-13(17)12(9)16/h1-6,10,16H,(H,14,17)/t10-/m1/s1
InChIKeyKCXBDIVMYROFRT-SNVBAGLBSA-N
XLogP2.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-1,2-dihydropyrrol-5-one?
The IUPAC name of (2S)-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-1,2-dihydropyrrol-5-one (CID 7236352) is (2S)-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for (2S)-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-1,2-dihydropyrrol-5-one?
The canonical SMILES for (2S)-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-1,2-dihydropyrrol-5-one is O=C1N[C@H](c2cccs2)C(C(=O)c2cccs2)=C1O.
What is the InChIKey of (2S)-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-1,2-dihydropyrrol-5-one?
The InChIKey is KCXBDIVMYROFRT-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H9NO3S2/c15-11(8-4-2-6-19-8)9-10(7-3-1-5-18-7)14-13(17)12(9)16/h1-6,10,16H,(H,14,17)/t10-/m1/s1.
What are the key properties of (2S)-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-1,2-dihydropyrrol-5-one?
(2S)-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-1,2-dihydropyrrol-5-one has a molecular weight of 291.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 7236352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).