diethyl 2H-pyrrole-3,5-dicarboxylate

C10H13NO4 — CID 124524173

IUPACdiethyl 2H-pyrrole-3,5-dicarboxylate
SMILESCCOC(=O)C1=CC(C(=O)OCC)=NC1
InChIInChI=1S/C10H13NO4/c1-3-14-9(12)7-5-8(11-6-7)10(13)15-4-2/h5H,3-4,6H2,1-2H3
InChIKeyIFSJDIKYTCCVEC-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.49
Rot. Bonds4

About diethyl 2H-pyrrole-3,5-dicarboxylate

diethyl 2H-pyrrole-3,5-dicarboxylate (PubChem CID 124524173) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is diethyl 2H-pyrrole-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2H-pyrrole-3,5-dicarboxylate
PubChem CID124524173
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Namediethyl 2H-pyrrole-3,5-dicarboxylate
SMILESCCOC(=O)C1=CC(C(=O)OCC)=NC1
InChIInChI=1S/C10H13NO4/c1-3-14-9(12)7-5-8(11-6-7)10(13)15-4-2/h5H,3-4,6H2,1-2H3
InChIKeyIFSJDIKYTCCVEC-UHFFFAOYSA-N
XLogP0.49
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl 2H-pyrrole-3,5-dicarboxylate?
The IUPAC name of diethyl 2H-pyrrole-3,5-dicarboxylate (CID 124524173) is diethyl 2H-pyrrole-3,5-dicarboxylate.
What is the SMILES notation for diethyl 2H-pyrrole-3,5-dicarboxylate?
The canonical SMILES for diethyl 2H-pyrrole-3,5-dicarboxylate is CCOC(=O)C1=CC(C(=O)OCC)=NC1.
What is the InChIKey of diethyl 2H-pyrrole-3,5-dicarboxylate?
The InChIKey is IFSJDIKYTCCVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-3-14-9(12)7-5-8(11-6-7)10(13)15-4-2/h5H,3-4,6H2,1-2H3.
What are the key properties of diethyl 2H-pyrrole-3,5-dicarboxylate?
diethyl 2H-pyrrole-3,5-dicarboxylate has a molecular weight of 211.22 g/mol, XLogP of 0.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2H-pyrrole-3,5-dicarboxylate is sourced from PubChem (CID 124524173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).