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

C15H17NO4 — CID 608656

IUPACethyl 4-methoxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(OC)C(=O)N(C)C1c1ccccc1
InChIInChI=1S/C15H17NO4/c1-4-20-15(18)11-12(10-8-6-5-7-9-10)16(2)14(17)13(11)19-3/h5-9,12H,4H2,1-3H3
InChIKeyXWFLEVTUDSJWCK-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.66
Rot. Bonds4

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

ethyl 4-methoxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate (PubChem CID 608656) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is ethyl 4-methoxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-methoxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate
PubChem CID608656
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Nameethyl 4-methoxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(OC)C(=O)N(C)C1c1ccccc1
InChIInChI=1S/C15H17NO4/c1-4-20-15(18)11-12(10-8-6-5-7-9-10)16(2)14(17)13(11)19-3/h5-9,12H,4H2,1-3H3
InChIKeyXWFLEVTUDSJWCK-UHFFFAOYSA-N
XLogP1.66
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1-benzyl-3-hydroxy-2(5H)-oxopyrrole-4-carboxylate
CID 54677973
ethyl (3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)acetate
CID 664969
ethyl 4-hydroxy-5-oxo-1-[(1R)-1-phenylethyl]-2H-pyrrole-3-carboxylate
CID 54737685
[2-[Benzyl(propan-2-yl)amino]-2-oxoethyl] cyclohexanecarboxylate
CID 2368876
ethyl 4-hydroxy-5-oxo-1-[(1S)-1-phenylethyl]-2H-pyrrole-3-carboxylate
CID 54737680
propyl 1-benzyl-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate
CID 54737681
Ethyl 4-hydroxy-5-oxo-1-(2-phenylethyl)-2,5-dihydro-1H-pyrrole-3-carboxylate
CID 54737687
methyl (E)-2-[[(3S,4R)-3-methoxy-2-oxo-4-phenylazetidin-1-yl]methyl]-3-phenylprop-2-enoate
CID 134142180
ethyl (E)-2-[[(2R,3S)-2-(4-fluorophenyl)-3-methoxy-4-oxoazetidin-1-yl]methyl]-3-phenylprop-2-enoate
CID 134151932
methyl (E)-2-[[(2R,3S)-2-(4-fluorophenyl)-3-methoxy-4-oxoazetidin-1-yl]methyl]-3-phenylprop-2-enoate
CID 134152932
methyl (E)-2-[[(2R,3S)-2-(3-fluorophenyl)-3-methoxy-4-oxoazetidin-1-yl]methyl]-3-phenylprop-2-enoate
CID 134156342
ethyl 2,7-dimethyl-3-oxo-5-phenyl-5H-[1,3]oxazolo[3,2-a]pyrimidine-6-carboxylate
CID 162664405

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methoxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 4-methoxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate (CID 608656) is ethyl 4-methoxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-methoxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-methoxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate is CCOC(=O)C1=C(OC)C(=O)N(C)C1c1ccccc1.
What is the InChIKey of ethyl 4-methoxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate?
The InChIKey is XWFLEVTUDSJWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-4-20-15(18)11-12(10-8-6-5-7-9-10)16(2)14(17)13(11)19-3/h5-9,12H,4H2,1-3H3.
What are the key properties of ethyl 4-methoxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate?
ethyl 4-methoxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate has a molecular weight of 275.30 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methoxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate is sourced from PubChem (CID 608656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).