2-(3-Diethoxyphosphorylpropyl)isoindole-1,3-dione

HCID 254241

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCOP(=O)(CCCN1C(=O)c2ccccc2C1=O)OCC
InChIKey: GEXSXLVXVOLCPD-UHFFFAOYSA-N
Molecular formula: C15H20NO5P
Average molar mass: 325.3 g/mol

Names & identifiers

Preferred name: 2-(3-Diethoxyphosphorylpropyl)isoindole-1,3-dione
IUPAC: 2-(3-diethoxyphosphorylpropyl)isoindole-1,3-dione

Names & synonyms

107257-50-1Diethyl [3-(N-phthalimido)propyl]phosphonate2-(3-diethoxyphosphorylpropyl)isoindole-1,3-dioneNSC78306NCIOpen2_008791SCHEMBL2815497GEXSXLVXVOLCPD-UHFFFAOYSA-Ndiethyl phthalimidopropylphosphonateNSC-78306Diethyl [3-(N-phthalimido)propyl]phosphonate, 97%Phosphonic acid, [3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)propyl]-,diethyl ester

Database identifiers

PubChem CID: 254241
Nikkaji: J613.381I

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 72.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 22
Formal charge: 0
Complexity: 433

Related reactions

2 records

New reaction record

HRID 194014As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 2044134As reactantuspto-grants-2013_11

Compound notes

Loading…