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

C15H11NO4S — CID 7236355

IUPAC(2R)-4-hydroxy-2-(4-hydroxyphenyl)-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one
SMILESO=C1N[C@H](c2ccc(O)cc2)C(C(=O)c2cccs2)=C1O
InChIInChI=1S/C15H11NO4S/c17-9-5-3-8(4-6-9)12-11(14(19)15(20)16-12)13(18)10-2-1-7-21-10/h1-7,12,17,19H,(H,16,20)/t12-/m1/s1
InChIKeyCZIVNLLSQDOXDK-GFCCVEGCSA-N
MW301.32 g/mol
LogP2.32
Rot. Bonds3

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

(2R)-4-hydroxy-2-(4-hydroxyphenyl)-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one (PubChem CID 7236355) has the molecular formula C15H11NO4S and a molecular weight of 301.32 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-(4-hydroxyphenyl)-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-(4-hydroxyphenyl)-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one
PubChem CID7236355
Molecular FormulaC15H11NO4S
Molecular Weight301.32 g/mol
Exact Mass301.04
IUPAC Name(2R)-4-hydroxy-2-(4-hydroxyphenyl)-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one
SMILESO=C1N[C@H](c2ccc(O)cc2)C(C(=O)c2cccs2)=C1O
InChIInChI=1S/C15H11NO4S/c17-9-5-3-8(4-6-9)12-11(14(19)15(20)16-12)13(18)10-2-1-7-21-10/h1-7,12,17,19H,(H,16,20)/t12-/m1/s1
InChIKeyCZIVNLLSQDOXDK-GFCCVEGCSA-N
XLogP2.32
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-(4-hydroxyphenyl)-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one?
The IUPAC name of (2R)-4-hydroxy-2-(4-hydroxyphenyl)-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one (CID 7236355) is (2R)-4-hydroxy-2-(4-hydroxyphenyl)-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for (2R)-4-hydroxy-2-(4-hydroxyphenyl)-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one?
The canonical SMILES for (2R)-4-hydroxy-2-(4-hydroxyphenyl)-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one is O=C1N[C@H](c2ccc(O)cc2)C(C(=O)c2cccs2)=C1O.
What is the InChIKey of (2R)-4-hydroxy-2-(4-hydroxyphenyl)-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one?
The InChIKey is CZIVNLLSQDOXDK-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H11NO4S/c17-9-5-3-8(4-6-9)12-11(14(19)15(20)16-12)13(18)10-2-1-7-21-10/h1-7,12,17,19H,(H,16,20)/t12-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-(4-hydroxyphenyl)-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one?
(2R)-4-hydroxy-2-(4-hydroxyphenyl)-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one has a molecular weight of 301.32 g/mol, XLogP of 2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-(4-hydroxyphenyl)-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 7236355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).