ethyl 4-hydroxy-2-methoxy-1-methyl-5-oxo-2-phenylpyrrole-3-carboxylate

C15H17NO5 — CID 54706217

IUPACethyl 4-hydroxy-2-methoxy-1-methyl-5-oxo-2-phenylpyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(O)C(=O)N(C)C1(OC)c1ccccc1
InChIInChI=1S/C15H17NO5/c1-4-21-14(19)11-12(17)13(18)16(2)15(11,20-3)10-8-6-5-7-9-10/h5-9,17H,4H2,1-3H3
InChIKeyFFQBDQNVJOVWKF-UHFFFAOYSA-N
MW291.30 g/mol
LogP1.33
Rot. Bonds4

About ethyl 4-hydroxy-2-methoxy-1-methyl-5-oxo-2-phenylpyrrole-3-carboxylate

ethyl 4-hydroxy-2-methoxy-1-methyl-5-oxo-2-phenylpyrrole-3-carboxylate (PubChem CID 54706217) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is ethyl 4-hydroxy-2-methoxy-1-methyl-5-oxo-2-phenylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-2-methoxy-1-methyl-5-oxo-2-phenylpyrrole-3-carboxylate
PubChem CID54706217
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Nameethyl 4-hydroxy-2-methoxy-1-methyl-5-oxo-2-phenylpyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(O)C(=O)N(C)C1(OC)c1ccccc1
InChIInChI=1S/C15H17NO5/c1-4-21-14(19)11-12(17)13(18)16(2)15(11,20-3)10-8-6-5-7-9-10/h5-9,17H,4H2,1-3H3
InChIKeyFFQBDQNVJOVWKF-UHFFFAOYSA-N
XLogP1.33
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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 4-hydroxy-5-oxo-1-[(1S)-1-phenylethyl]-2H-pyrrole-3-carboxylate
CID 54737680
methyl 1-benzyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate
CID 54736168
Dimethyl 1-cyclohexyl-2-hydroxy-5-oxo-2-phenylpyrrole-3,4-dicarboxylate
CID 101859308
Ditert-butyl 1-cyclohexyl-2-hydroxy-5-oxo-2-phenylpyrrole-3,4-dicarboxylate
CID 134853644
Ethyl 5-[ethoxy(phenyl)methyl]-1-methyl-6-oxo-2-phenylpyridine-3-carboxylate
CID 134913831
Methyl 4-hydroxy-5-oxo-2-phenyl-1,2-dihydropyrrole-3-carboxylate
CID 162417363
ethyl 4-hydroxy-5-oxo-2-phenyl-1-propan-2-yl-2H-pyrrole-3-carboxylate
CID 176436650
ethyl 2-(4-fluorophenyl)-4-hydroxy-1-methyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate
CID 54724840
ethyl (2R)-2-(4-fluorophenyl)-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylate
CID 54750808
ethyl (2S)-2-(4-fluorophenyl)-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylate
CID 54750809

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-2-methoxy-1-methyl-5-oxo-2-phenylpyrrole-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-2-methoxy-1-methyl-5-oxo-2-phenylpyrrole-3-carboxylate (CID 54706217) is ethyl 4-hydroxy-2-methoxy-1-methyl-5-oxo-2-phenylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-2-methoxy-1-methyl-5-oxo-2-phenylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-2-methoxy-1-methyl-5-oxo-2-phenylpyrrole-3-carboxylate is CCOC(=O)C1=C(O)C(=O)N(C)C1(OC)c1ccccc1.
What is the InChIKey of ethyl 4-hydroxy-2-methoxy-1-methyl-5-oxo-2-phenylpyrrole-3-carboxylate?
The InChIKey is FFQBDQNVJOVWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-4-21-14(19)11-12(17)13(18)16(2)15(11,20-3)10-8-6-5-7-9-10/h5-9,17H,4H2,1-3H3.
What are the key properties of ethyl 4-hydroxy-2-methoxy-1-methyl-5-oxo-2-phenylpyrrole-3-carboxylate?
ethyl 4-hydroxy-2-methoxy-1-methyl-5-oxo-2-phenylpyrrole-3-carboxylate has a molecular weight of 291.30 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-2-methoxy-1-methyl-5-oxo-2-phenylpyrrole-3-carboxylate is sourced from PubChem (CID 54706217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).