benzyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate

C24H19NO4 — CID 54702886

IUPACbenzyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
SMILESO=C(OCc1ccccc1)C1=C(O)C(=O)N(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C24H19NO4/c26-22-20(24(28)29-16-17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)25(23(22)27)19-14-8-3-9-15-19/h1-15,21,26H,16H2
InChIKeyDUMGPXLDFKIPQN-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.33
Rot. Bonds5

About benzyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate

benzyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate (PubChem CID 54702886) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is benzyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namebenzyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
PubChem CID54702886
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Namebenzyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
SMILESO=C(OCc1ccccc1)C1=C(O)C(=O)N(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C24H19NO4/c26-22-20(24(28)29-16-17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)25(23(22)27)19-14-8-3-9-15-19/h1-15,21,26H,16H2
InChIKeyDUMGPXLDFKIPQN-UHFFFAOYSA-N
XLogP4.33
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
CID 54736162
(2R)-3-acetyl-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one
CID 790603
ethyl 4-hydroxy-5-oxo-2-phenyl-1-(4-sulfamoylphenyl)-2H-pyrrole-3-carboxylate
CID 54679389
ethyl (2R)-4-hydroxy-2-(4-nitrophenyl)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate
CID 54726189
4-hydroxy-2-(3-hydroxyphenyl)-1-phenyl-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108647487
ethyl (2S)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate
CID 54737892
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-phenyl-2-(3-phenylmethoxyphenyl)-2H-pyrrol-5-one
CID 108712554
4-hydroxy-3-(3-methylbutanoyl)-1-phenyl-2-(3-phenylmethoxyphenyl)-2H-pyrrol-5-one
CID 108712581
4-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl)benzoic acid
CID 666307
ethyl 4-(hydroxyamino)-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
CID 4996263
4-hydroxy-1-(3-methoxyphenyl)-2-phenyl-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108637636
tert-butyl (2R)-4-hydroxy-1-(4-methoxyphenyl)-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate
CID 54750460

Frequently Asked Questions

What is the IUPAC name of benzyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate?
The IUPAC name of benzyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate (CID 54702886) is benzyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate.
What is the SMILES notation for benzyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate?
The canonical SMILES for benzyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate is O=C(OCc1ccccc1)C1=C(O)C(=O)N(c2ccccc2)C1c1ccccc1.
What is the InChIKey of benzyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate?
The InChIKey is DUMGPXLDFKIPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4/c26-22-20(24(28)29-16-17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)25(23(22)27)19-14-8-3-9-15-19/h1-15,21,26H,16H2.
What are the key properties of benzyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate?
benzyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate has a molecular weight of 385.42 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate is sourced from PubChem (CID 54702886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).