diethyl 3-methoxy-1H-pyrrole-2,4-dicarboxylate

C11H15NO5 — CID 12985910

IUPACdiethyl 3-methoxy-1H-pyrrole-2,4-dicarboxylate
SMILESCCOC(=O)c1c[nH]c(C(=O)OCC)c1OC
InChIInChI=1S/C11H15NO5/c1-4-16-10(13)7-6-12-8(9(7)15-3)11(14)17-5-2/h6,12H,4-5H2,1-3H3
InChIKeyLXEGDWJIWBTXFM-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.38
Rot. Bonds5

About diethyl 3-methoxy-1H-pyrrole-2,4-dicarboxylate

diethyl 3-methoxy-1H-pyrrole-2,4-dicarboxylate (PubChem CID 12985910) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is diethyl 3-methoxy-1H-pyrrole-2,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-methoxy-1H-pyrrole-2,4-dicarboxylate
PubChem CID12985910
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Namediethyl 3-methoxy-1H-pyrrole-2,4-dicarboxylate
SMILESCCOC(=O)c1c[nH]c(C(=O)OCC)c1OC
InChIInChI=1S/C11H15NO5/c1-4-16-10(13)7-6-12-8(9(7)15-3)11(14)17-5-2/h6,12H,4-5H2,1-3H3
InChIKeyLXEGDWJIWBTXFM-UHFFFAOYSA-N
XLogP1.38
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl 3-methoxy-1H-pyrrole-2,4-dicarboxylate?
The IUPAC name of diethyl 3-methoxy-1H-pyrrole-2,4-dicarboxylate (CID 12985910) is diethyl 3-methoxy-1H-pyrrole-2,4-dicarboxylate.
What is the SMILES notation for diethyl 3-methoxy-1H-pyrrole-2,4-dicarboxylate?
The canonical SMILES for diethyl 3-methoxy-1H-pyrrole-2,4-dicarboxylate is CCOC(=O)c1c[nH]c(C(=O)OCC)c1OC.
What is the InChIKey of diethyl 3-methoxy-1H-pyrrole-2,4-dicarboxylate?
The InChIKey is LXEGDWJIWBTXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-4-16-10(13)7-6-12-8(9(7)15-3)11(14)17-5-2/h6,12H,4-5H2,1-3H3.
What are the key properties of diethyl 3-methoxy-1H-pyrrole-2,4-dicarboxylate?
diethyl 3-methoxy-1H-pyrrole-2,4-dicarboxylate has a molecular weight of 241.24 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-methoxy-1H-pyrrole-2,4-dicarboxylate is sourced from PubChem (CID 12985910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).