ethyl 4-hydroxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate

C14H15NO4 — CID 54679641

IUPACethyl 4-hydroxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(O)C(=O)N(C)C1c1ccccc1
InChIInChI=1S/C14H15NO4/c1-3-19-14(18)10-11(9-7-5-4-6-8-9)15(2)13(17)12(10)16/h4-8,11,16H,3H2,1-2H3
InChIKeyPEPBWEZHROLHSM-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.57
Rot. Bonds3

About ethyl 4-hydroxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate

ethyl 4-hydroxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate (PubChem CID 54679641) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl 4-hydroxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate
PubChem CID54679641
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Nameethyl 4-hydroxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(O)C(=O)N(C)C1c1ccccc1
InChIInChI=1S/C14H15NO4/c1-3-19-14(18)10-11(9-7-5-4-6-8-9)15(2)13(17)12(10)16/h4-8,11,16H,3H2,1-2H3
InChIKeyPEPBWEZHROLHSM-UHFFFAOYSA-N
XLogP1.57
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1-benzyl-3-hydroxy-2(5H)-oxopyrrole-4-carboxylate
CID 54677973
4-acetyl-3-hydroxy-1-(3-hydroxypropyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one
CID 2868300
ethyl 2-cyclohexyl-4-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 54712652
4-acetyl-3-hydroxy-1-(2-hydroxyethyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one
CID 2868356
3-[3-Acetyl-2-(3-fluoro-phenyl)-4-hydroxy-5-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid
CID 648150
4-Acetyl-5-(3-fluoro-phenyl)-3-hydroxy-1-(3-methoxy-propyl)-1,5-dihydro-pyrrol-2-one
CID 650972
ethyl (3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)acetate
CID 664969
ethyl [3-acetyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]acetate
CID 665123
methyl 4-[3-acetyl-4-hydroxy-1-(2-hydroxyethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
CID 3240575
ethyl 4-hydroxy-5-oxo-1-[(1R)-1-phenylethyl]-2H-pyrrole-3-carboxylate
CID 54737685
ethyl 2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylate
CID 54707734
Methyl 1-benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate
CID 54732347

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate (CID 54679641) is ethyl 4-hydroxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate is CCOC(=O)C1=C(O)C(=O)N(C)C1c1ccccc1.
What is the InChIKey of ethyl 4-hydroxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate?
The InChIKey is PEPBWEZHROLHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-3-19-14(18)10-11(9-7-5-4-6-8-9)15(2)13(17)12(10)16/h4-8,11,16H,3H2,1-2H3.
What are the key properties of ethyl 4-hydroxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate?
ethyl 4-hydroxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate is sourced from PubChem (CID 54679641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).