diethyl 1-(diethylamino)pyrrole-3,4-dicarboxylate

C14H22N2O4 — CID 101478665

IUPACdiethyl 1-(diethylamino)pyrrole-3,4-dicarboxylate
SMILESCCOC(=O)c1cn(N(CC)CC)cc1C(=O)OCC
InChIInChI=1S/C14H22N2O4/c1-5-15(6-2)16-9-11(13(17)19-7-3)12(10-16)14(18)20-8-4/h9-10H,5-8H2,1-4H3
InChIKeySOHRHDRYEOQYMK-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.82
Rot. Bonds7

About diethyl 1-(diethylamino)pyrrole-3,4-dicarboxylate

diethyl 1-(diethylamino)pyrrole-3,4-dicarboxylate (PubChem CID 101478665) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is diethyl 1-(diethylamino)pyrrole-3,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 1-(diethylamino)pyrrole-3,4-dicarboxylate
PubChem CID101478665
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Namediethyl 1-(diethylamino)pyrrole-3,4-dicarboxylate
SMILESCCOC(=O)c1cn(N(CC)CC)cc1C(=O)OCC
InChIInChI=1S/C14H22N2O4/c1-5-15(6-2)16-9-11(13(17)19-7-3)12(10-16)14(18)20-8-4/h9-10H,5-8H2,1-4H3
InChIKeySOHRHDRYEOQYMK-UHFFFAOYSA-N
XLogP1.82
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl 1-cyclopropylpyrrole-3,4-dicarboxylate
CID 86258713
ethyl 4-(3-hydroxyprop-2-ynoyl)-1-methylpyrrole-3-carboxylate
CID 58761202
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
ethyl 3-acetamido-1-methylpyrazole-4-carboxylate
CID 11572025
ethyl 5-oxo-2-propan-2-yl-1H-pyrazole-4-carboxylate
CID 23113372
ethene-1,1-diamine;ethyl 3-amino-1-methylpyrazole-4-carboxylate
CID 123601486
diethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate
CID 578820
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
ethyl 3-bromo-1-phenylpyrazole-4-carboxylate
CID 121014552
ethyl 3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate
CID 23088347
ethyl 1,2,5-trimethylpyrrole-3-carboxylate
CID 2322899
ethyl 1-methyl-3-phenylpyrazole-4-carboxylate
CID 14003898

Frequently Asked Questions

What is the IUPAC name of diethyl 1-(diethylamino)pyrrole-3,4-dicarboxylate?
The IUPAC name of diethyl 1-(diethylamino)pyrrole-3,4-dicarboxylate (CID 101478665) is diethyl 1-(diethylamino)pyrrole-3,4-dicarboxylate.
What is the SMILES notation for diethyl 1-(diethylamino)pyrrole-3,4-dicarboxylate?
The canonical SMILES for diethyl 1-(diethylamino)pyrrole-3,4-dicarboxylate is CCOC(=O)c1cn(N(CC)CC)cc1C(=O)OCC.
What is the InChIKey of diethyl 1-(diethylamino)pyrrole-3,4-dicarboxylate?
The InChIKey is SOHRHDRYEOQYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-5-15(6-2)16-9-11(13(17)19-7-3)12(10-16)14(18)20-8-4/h9-10H,5-8H2,1-4H3.
What are the key properties of diethyl 1-(diethylamino)pyrrole-3,4-dicarboxylate?
diethyl 1-(diethylamino)pyrrole-3,4-dicarboxylate has a molecular weight of 282.34 g/mol, XLogP of 1.82, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1-(diethylamino)pyrrole-3,4-dicarboxylate is sourced from PubChem (CID 101478665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).