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

C16H13NO3S — CID 3155881

IUPAC4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one
SMILESCc1ccc(C2NC(=O)C(O)=C2C(=O)c2cccs2)cc1
InChIInChI=1S/C16H13NO3S/c1-9-4-6-10(7-5-9)13-12(15(19)16(20)17-13)14(18)11-3-2-8-21-11/h2-8,13,19H,1H3,(H,17,20)
InChIKeyANIUPVPHYYIJMO-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.92
Rot. Bonds3

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

4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one (PubChem CID 3155881) has the molecular formula C16H13NO3S and a molecular weight of 299.35 g/mol. Its IUPAC name is 4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one
PubChem CID3155881
Molecular FormulaC16H13NO3S
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC Name4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one
SMILESCc1ccc(C2NC(=O)C(O)=C2C(=O)c2cccs2)cc1
InChIInChI=1S/C16H13NO3S/c1-9-4-6-10(7-5-9)13-12(15(19)16(20)17-13)14(18)11-3-2-8-21-11/h2-8,13,19H,1H3,(H,17,20)
InChIKeyANIUPVPHYYIJMO-UHFFFAOYSA-N
XLogP2.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one?
The IUPAC name of 4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one (CID 3155881) is 4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one?
The canonical SMILES for 4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one is Cc1ccc(C2NC(=O)C(O)=C2C(=O)c2cccs2)cc1.
What is the InChIKey of 4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one?
The InChIKey is ANIUPVPHYYIJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3S/c1-9-4-6-10(7-5-9)13-12(15(19)16(20)17-13)14(18)11-3-2-8-21-11/h2-8,13,19H,1H3,(H,17,20).
What are the key properties of 4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one?
4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one has a molecular weight of 299.35 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 3155881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).