diethyl 3-hydroxy-1-methylpyrrole-2,4-dicarboxylate

C11H15NO5 — CID 54675984

IUPACdiethyl 3-hydroxy-1-methylpyrrole-2,4-dicarboxylate
SMILESCCOC(=O)c1cn(C)c(C(=O)OCC)c1O
InChIInChI=1S/C11H15NO5/c1-4-16-10(14)7-6-12(3)8(9(7)13)11(15)17-5-2/h6,13H,4-5H2,1-3H3
InChIKeySCHTWXDWNHJFNB-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.08
Rot. Bonds4

About diethyl 3-hydroxy-1-methylpyrrole-2,4-dicarboxylate

diethyl 3-hydroxy-1-methylpyrrole-2,4-dicarboxylate (PubChem CID 54675984) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is diethyl 3-hydroxy-1-methylpyrrole-2,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-hydroxy-1-methylpyrrole-2,4-dicarboxylate
PubChem CID54675984
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Namediethyl 3-hydroxy-1-methylpyrrole-2,4-dicarboxylate
SMILESCCOC(=O)c1cn(C)c(C(=O)OCC)c1O
InChIInChI=1S/C11H15NO5/c1-4-16-10(14)7-6-12(3)8(9(7)13)11(15)17-5-2/h6,13H,4-5H2,1-3H3
InChIKeySCHTWXDWNHJFNB-UHFFFAOYSA-N
XLogP1.08
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of diethyl 3-hydroxy-1-methylpyrrole-2,4-dicarboxylate?
The IUPAC name of diethyl 3-hydroxy-1-methylpyrrole-2,4-dicarboxylate (CID 54675984) is diethyl 3-hydroxy-1-methylpyrrole-2,4-dicarboxylate.
What is the SMILES notation for diethyl 3-hydroxy-1-methylpyrrole-2,4-dicarboxylate?
The canonical SMILES for diethyl 3-hydroxy-1-methylpyrrole-2,4-dicarboxylate is CCOC(=O)c1cn(C)c(C(=O)OCC)c1O.
What is the InChIKey of diethyl 3-hydroxy-1-methylpyrrole-2,4-dicarboxylate?
The InChIKey is SCHTWXDWNHJFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-4-16-10(14)7-6-12(3)8(9(7)13)11(15)17-5-2/h6,13H,4-5H2,1-3H3.
What are the key properties of diethyl 3-hydroxy-1-methylpyrrole-2,4-dicarboxylate?
diethyl 3-hydroxy-1-methylpyrrole-2,4-dicarboxylate has a molecular weight of 241.24 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-hydroxy-1-methylpyrrole-2,4-dicarboxylate is sourced from PubChem (CID 54675984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).