methyl 4-hydroxy-5-oxo-2-phenyl-1,2-dihydropyrrole-3-carboxylate

C12H11NO4 — CID 162417363

IUPACmethyl 4-hydroxy-5-oxo-2-phenyl-1,2-dihydropyrrole-3-carboxylate
SMILESCOC(=O)C1=C(O)C(=O)NC1c1ccccc1
InChIInChI=1S/C12H11NO4/c1-17-12(16)8-9(13-11(15)10(8)14)7-5-3-2-4-6-7/h2-6,9,14H,1H3,(H,13,15)
InChIKeyUJJZTOULCCRINY-UHFFFAOYSA-N
MW233.22 g/mol
LogP0.84
Rot. Bonds2

About methyl 4-hydroxy-5-oxo-2-phenyl-1,2-dihydropyrrole-3-carboxylate

methyl 4-hydroxy-5-oxo-2-phenyl-1,2-dihydropyrrole-3-carboxylate (PubChem CID 162417363) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is methyl 4-hydroxy-5-oxo-2-phenyl-1,2-dihydropyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-5-oxo-2-phenyl-1,2-dihydropyrrole-3-carboxylate
PubChem CID162417363
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Namemethyl 4-hydroxy-5-oxo-2-phenyl-1,2-dihydropyrrole-3-carboxylate
SMILESCOC(=O)C1=C(O)C(=O)NC1c1ccccc1
InChIInChI=1S/C12H11NO4/c1-17-12(16)8-9(13-11(15)10(8)14)7-5-3-2-4-6-7/h2-6,9,14H,1H3,(H,13,15)
InChIKeyUJJZTOULCCRINY-UHFFFAOYSA-N
XLogP0.84
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1-benzyl-3-hydroxy-2(5H)-oxopyrrole-4-carboxylate
CID 54677973
3-Acetamido-3-phenylpropanoic acid
CID 3480882
ethyl 4-hydroxy-5-oxo-1-[(1R)-1-phenylethyl]-2H-pyrrole-3-carboxylate
CID 54737685
Methyl 1-benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate
CID 54732347
ethyl 4-hydroxy-5-oxo-1-[(1S)-1-phenylethyl]-2H-pyrrole-3-carboxylate
CID 54737680
N-[(4,6-dimethyl-2-oxo-2H-pyran-5-yl)carbonyl]-L-phenylalanine
CID 906939
Maleylphenylalanine methyl ester
CID 6449800
5-Phenyl-4-hydroxy-2-oxo-2,5-dihydro-1h-pyrrole-3-carboxylic acid methyl ester
CID 57820653
Methyl 2-benzyl-3-hydroxy-5-oxo-1,2-dihydropyrrole-4-carboxylate
CID 57820991
methyl 1-benzyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate
CID 54736168
Methyl 2-(2-fluorophenyl)-4-hydroxy-5-oxo-1,2-dihydropyrrole-3-carboxylate
CID 162415456
Methyl 2-(2,6-difluorophenyl)-4-hydroxy-5-oxo-1,2-dihydropyrrole-3-carboxylate
CID 162415682

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-5-oxo-2-phenyl-1,2-dihydropyrrole-3-carboxylate?
The IUPAC name of methyl 4-hydroxy-5-oxo-2-phenyl-1,2-dihydropyrrole-3-carboxylate (CID 162417363) is methyl 4-hydroxy-5-oxo-2-phenyl-1,2-dihydropyrrole-3-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-5-oxo-2-phenyl-1,2-dihydropyrrole-3-carboxylate?
The canonical SMILES for methyl 4-hydroxy-5-oxo-2-phenyl-1,2-dihydropyrrole-3-carboxylate is COC(=O)C1=C(O)C(=O)NC1c1ccccc1.
What is the InChIKey of methyl 4-hydroxy-5-oxo-2-phenyl-1,2-dihydropyrrole-3-carboxylate?
The InChIKey is UJJZTOULCCRINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-17-12(16)8-9(13-11(15)10(8)14)7-5-3-2-4-6-7/h2-6,9,14H,1H3,(H,13,15).
What are the key properties of methyl 4-hydroxy-5-oxo-2-phenyl-1,2-dihydropyrrole-3-carboxylate?
methyl 4-hydroxy-5-oxo-2-phenyl-1,2-dihydropyrrole-3-carboxylate has a molecular weight of 233.22 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-5-oxo-2-phenyl-1,2-dihydropyrrole-3-carboxylate is sourced from PubChem (CID 162417363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).