methyl 2-(2-fluorophenyl)-4-hydroxy-5-oxo-1,2-dihydropyrrole-3-carboxylate

C12H10FNO4 — CID 162415456

IUPACmethyl 2-(2-fluorophenyl)-4-hydroxy-5-oxo-1,2-dihydropyrrole-3-carboxylate
SMILESCOC(=O)C1=C(O)C(=O)NC1c1ccccc1F
InChIInChI=1S/C12H10FNO4/c1-18-12(17)8-9(14-11(16)10(8)15)6-4-2-3-5-7(6)13/h2-5,9,15H,1H3,(H,14,16)
InChIKeyQQMCQOGFRHGXPW-UHFFFAOYSA-N
MW251.21 g/mol
LogP0.98
Rot. Bonds2

About methyl 2-(2-fluorophenyl)-4-hydroxy-5-oxo-1,2-dihydropyrrole-3-carboxylate

methyl 2-(2-fluorophenyl)-4-hydroxy-5-oxo-1,2-dihydropyrrole-3-carboxylate (PubChem CID 162415456) has the molecular formula C12H10FNO4 and a molecular weight of 251.21 g/mol. Its IUPAC name is methyl 2-(2-fluorophenyl)-4-hydroxy-5-oxo-1,2-dihydropyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-fluorophenyl)-4-hydroxy-5-oxo-1,2-dihydropyrrole-3-carboxylate
PubChem CID162415456
Molecular FormulaC12H10FNO4
Molecular Weight251.21 g/mol
Exact Mass251.06
IUPAC Namemethyl 2-(2-fluorophenyl)-4-hydroxy-5-oxo-1,2-dihydropyrrole-3-carboxylate
SMILESCOC(=O)C1=C(O)C(=O)NC1c1ccccc1F
InChIInChI=1S/C12H10FNO4/c1-18-12(17)8-9(14-11(16)10(8)15)6-4-2-3-5-7(6)13/h2-5,9,15H,1H3,(H,14,16)
InChIKeyQQMCQOGFRHGXPW-UHFFFAOYSA-N
XLogP0.98
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Acetamido-3-(4-fluorophenyl)propanoic acid
CID 3121001
3-[3-Acetyl-2-(3-fluoro-phenyl)-4-hydroxy-5-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid
CID 648150
3-[3-Acetyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid
CID 590803
3-Acetyl-2-(4-fluorophenyl)-4-hydroxy-1,2-dihydropyrrol-5-one
CID 2890548
3-Acetyl-2-(2-fluorophenyl)-4-hydroxy-1,2-dihydropyrrol-5-one
CID 540321
3-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid
CID 3140883
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 (3R)-3-acetamido-3-(4-fluorophenyl)propanoate
CID 12164815
Methyl 3-acetamido-3-(4-fluorophenyl)propanoate
CID 47364496
methyl 1-benzyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate
CID 54736168
methyl (2R,3S)-3-acetamido-2-fluoro-3-phenylpropanoate
CID 101513403

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluorophenyl)-4-hydroxy-5-oxo-1,2-dihydropyrrole-3-carboxylate?
The IUPAC name of methyl 2-(2-fluorophenyl)-4-hydroxy-5-oxo-1,2-dihydropyrrole-3-carboxylate (CID 162415456) is methyl 2-(2-fluorophenyl)-4-hydroxy-5-oxo-1,2-dihydropyrrole-3-carboxylate.
What is the SMILES notation for methyl 2-(2-fluorophenyl)-4-hydroxy-5-oxo-1,2-dihydropyrrole-3-carboxylate?
The canonical SMILES for methyl 2-(2-fluorophenyl)-4-hydroxy-5-oxo-1,2-dihydropyrrole-3-carboxylate is COC(=O)C1=C(O)C(=O)NC1c1ccccc1F.
What is the InChIKey of methyl 2-(2-fluorophenyl)-4-hydroxy-5-oxo-1,2-dihydropyrrole-3-carboxylate?
The InChIKey is QQMCQOGFRHGXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO4/c1-18-12(17)8-9(14-11(16)10(8)15)6-4-2-3-5-7(6)13/h2-5,9,15H,1H3,(H,14,16).
What are the key properties of methyl 2-(2-fluorophenyl)-4-hydroxy-5-oxo-1,2-dihydropyrrole-3-carboxylate?
methyl 2-(2-fluorophenyl)-4-hydroxy-5-oxo-1,2-dihydropyrrole-3-carboxylate has a molecular weight of 251.21 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluorophenyl)-4-hydroxy-5-oxo-1,2-dihydropyrrole-3-carboxylate is sourced from PubChem (CID 162415456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).