1-N-Propylphthalimido-1H-pyrrole-3,4-dicarboxylate diethyl ester

HCID 69734830
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Basic information

Standard SMILES
CCCn1cc(C(=O)OCC)c(C(=O)OCC)c1N1C(=O)c2ccccc2C1=O
InChIKey
XMZYDEQBKFPUGC-UHFFFAOYSA-N
Molecular formula
C21H22N2O6
Average molar mass
398.4 g/mol
Monoisotopic mass
398.14778643

Names & identifiers

Preferred name
1-N-Propylphthalimido-1H-pyrrole-3,4-dicarboxylate diethyl ester
IUPAC
diethyl 2-(1,3-dioxoisoindol-2-yl)-1-propylpyrrole-3,4-dicarboxylate

Names & synonyms

SCHEMBL6297331XMZYDEQBKFPUGC-UHFFFAOYSA-N1-N-Propylphthalimido-1H-pyrrole-3,4-dicarboxylate diethyl ester

Database identifiers

PubChem CID
69734830

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
94.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
29

Related reactions

4 records
New reaction record

Compound notes

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