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

C18H15NO4 — CID 54736162

IUPACmethyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
SMILESCOC(=O)C1=C(O)C(=O)N(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C18H15NO4/c1-23-18(22)14-15(12-8-4-2-5-9-12)19(17(21)16(14)20)13-10-6-3-7-11-13/h2-11,15,20H,1H3
InChIKeyDZVGELJCXDRKPZ-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.76
Rot. Bonds3

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

methyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate (PubChem CID 54736162) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is methyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
PubChem CID54736162
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Namemethyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
SMILESCOC(=O)C1=C(O)C(=O)N(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C18H15NO4/c1-23-18(22)14-15(12-8-4-2-5-9-12)19(17(21)16(14)20)13-10-6-3-7-11-13/h2-11,15,20H,1H3
InChIKeyDZVGELJCXDRKPZ-UHFFFAOYSA-N
XLogP2.76
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-acetyl-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one
CID 790603
benzyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
CID 54702886
tert-butyl (2R)-4-hydroxy-1-(4-methoxyphenyl)-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate
CID 54750460
dimethyl (2S,5S)-1,2,5-triphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
CID 7103627
3-acetyl-4-hydroxy-1-(3-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one
CID 4638719
(2R)-3-acetyl-4-hydroxy-1-(3-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one
CID 949634
3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-1-phenyl-2H-pyrrol-5-one
CID 134115145
4-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl)benzoic acid
CID 666307
ethyl 4-hydroxy-5-oxo-2-phenyl-1-(4-sulfamoylphenyl)-2H-pyrrole-3-carboxylate
CID 54679389
(2S)-4-hydroxy-3-methylsulfonyl-1,2-diphenyl-2H-pyrrol-5-one
CID 802741
ethyl (2R)-4-hydroxy-2-(4-nitrophenyl)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate
CID 54726189
methyl 3-[3-(1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl]benzoate
CID 108598620

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate?
The IUPAC name of methyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate (CID 54736162) is methyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate is COC(=O)C1=C(O)C(=O)N(c2ccccc2)C1c1ccccc1.
What is the InChIKey of methyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate?
The InChIKey is DZVGELJCXDRKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-23-18(22)14-15(12-8-4-2-5-9-12)19(17(21)16(14)20)13-10-6-3-7-11-13/h2-11,15,20H,1H3.
What are the key properties of methyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate?
methyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate has a molecular weight of 309.32 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate is sourced from PubChem (CID 54736162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).