ethyl 2-(4-chlorophenyl)-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylate

C14H14ClNO4 — CID 102130026

IUPACethyl 2-(4-chlorophenyl)-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(O)C(=O)N(C)C1c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO4/c1-3-20-14(19)10-11(16(2)13(18)12(10)17)8-4-6-9(15)7-5-8/h4-7,11,17H,3H2,1-2H3
InChIKeyRRTVZURIZLTGMC-UHFFFAOYSA-N
MW295.72 g/mol
LogP2.23
Rot. Bonds3

About ethyl 2-(4-chlorophenyl)-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylate

ethyl 2-(4-chlorophenyl)-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylate (PubChem CID 102130026) has the molecular formula C14H14ClNO4 and a molecular weight of 295.72 g/mol. Its IUPAC name is ethyl 2-(4-chlorophenyl)-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-chlorophenyl)-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylate
PubChem CID102130026
Molecular FormulaC14H14ClNO4
Molecular Weight295.72 g/mol
Exact Mass295.06
IUPAC Nameethyl 2-(4-chlorophenyl)-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(O)C(=O)N(C)C1c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO4/c1-3-20-14(19)10-11(16(2)13(18)12(10)17)8-4-6-9(15)7-5-8/h4-7,11,17H,3H2,1-2H3
InChIKeyRRTVZURIZLTGMC-UHFFFAOYSA-N
XLogP2.23
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chlorophenyl)-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 2-(4-chlorophenyl)-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylate (CID 102130026) is ethyl 2-(4-chlorophenyl)-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2-(4-chlorophenyl)-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2-(4-chlorophenyl)-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylate is CCOC(=O)C1=C(O)C(=O)N(C)C1c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-(4-chlorophenyl)-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylate?
The InChIKey is RRTVZURIZLTGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO4/c1-3-20-14(19)10-11(16(2)13(18)12(10)17)8-4-6-9(15)7-5-8/h4-7,11,17H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-chlorophenyl)-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylate?
ethyl 2-(4-chlorophenyl)-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylate has a molecular weight of 295.72 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chlorophenyl)-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylate is sourced from PubChem (CID 102130026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).