ethyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate

C19H17NO4 — CID 54676722

IUPACethyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(O)C(=O)N(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C19H17NO4/c1-2-24-19(23)15-16(13-9-5-3-6-10-13)20(18(22)17(15)21)14-11-7-4-8-12-14/h3-12,16,21H,2H2,1H3
InChIKeyNHWAAZXZONZXPH-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.15
Rot. Bonds4

About ethyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate

ethyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate (PubChem CID 54676722) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is ethyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
PubChem CID54676722
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Nameethyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(O)C(=O)N(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C19H17NO4/c1-2-24-19(23)15-16(13-9-5-3-6-10-13)20(18(22)17(15)21)14-11-7-4-8-12-14/h3-12,16,21H,2H2,1H3
InChIKeyNHWAAZXZONZXPH-UHFFFAOYSA-N
XLogP3.15
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate (CID 54676722) is ethyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate is CCOC(=O)C1=C(O)C(=O)N(c2ccccc2)C1c1ccccc1.
What is the InChIKey of ethyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate?
The InChIKey is NHWAAZXZONZXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-2-24-19(23)15-16(13-9-5-3-6-10-13)20(18(22)17(15)21)14-11-7-4-8-12-14/h3-12,16,21H,2H2,1H3.
What are the key properties of ethyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate?
ethyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate is sourced from PubChem (CID 54676722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).