3-(furan-2-carbonyl)-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one

C21H15NO4 — CID 108638894

IUPAC3-(furan-2-carbonyl)-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2ccccc2)C1c1ccccc1)c1ccco1
InChIInChI=1S/C21H15NO4/c23-19(16-12-7-13-26-16)17-18(14-8-3-1-4-9-14)22(21(25)20(17)24)15-10-5-2-6-11-15/h1-13,18,24H
InChIKeyHZKVQTLYBLEDEF-UHFFFAOYSA-N
MW345.35 g/mol
LogP4.06
Rot. Bonds4

About 3-(furan-2-carbonyl)-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one

3-(furan-2-carbonyl)-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one (PubChem CID 108638894) has the molecular formula C21H15NO4 and a molecular weight of 345.35 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one
PubChem CID108638894
Molecular FormulaC21H15NO4
Molecular Weight345.35 g/mol
Exact Mass345.10
IUPAC Name3-(furan-2-carbonyl)-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2ccccc2)C1c1ccccc1)c1ccco1
InChIInChI=1S/C21H15NO4/c23-19(16-12-7-13-26-16)17-18(14-8-3-1-4-9-14)22(21(25)20(17)24)15-10-5-2-6-11-15/h1-13,18,24H
InChIKeyHZKVQTLYBLEDEF-UHFFFAOYSA-N
XLogP4.06
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one (CID 108638894) is 3-(furan-2-carbonyl)-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(c2ccccc2)C1c1ccccc1)c1ccco1.
What is the InChIKey of 3-(furan-2-carbonyl)-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one?
The InChIKey is HZKVQTLYBLEDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO4/c23-19(16-12-7-13-26-16)17-18(14-8-3-1-4-9-14)22(21(25)20(17)24)15-10-5-2-6-11-15/h1-13,18,24H.
What are the key properties of 3-(furan-2-carbonyl)-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one?
3-(furan-2-carbonyl)-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one has a molecular weight of 345.35 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one is sourced from PubChem (CID 108638894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).