2-(Pyridin-3-ylmethyl)isoindoline-1,3-dione

HCID 709455

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=C1c2ccccc2C(=O)N1Cc1cccnc1
InChIKey: XMDAVDGDONYZJJ-UHFFFAOYSA-N
Molecular formula: C14H10N2O2
Average molar mass: 238.24 g/mol

Names & identifiers

Preferred name: 2-(Pyridin-3-ylmethyl)isoindoline-1,3-dione
IUPAC: 2-(pyridin-3-ylmethyl)isoindole-1,3-dione

Names & synonyms

2-(Pyridin-3-ylmethyl)isoindoline-1,3-dione34403-38-82-Pyridin-3-ylmethyl-isoindole-1,3-dione2-(pyridin-3-ylmethyl)isoindole-1,3-dioneN-(3-pyridylmethyl)phthalimideOprea1_567463Oprea1_853262SCHEMBL45682MLS0007112282-(3-pyridinylmethyl)-1H-isoindole-1,3(2H)-dione3-(N-Phthalimidomethyl)pyridineCHEMBL1904124

Show more names

XMDAVDGDONYZJJ-UHFFFAOYSA-NHMS2651N18CCG-50918STK268723AKOS000748305SB64383NCGC00186567-01SMR000280995

Database identifiers

PubChem CID: 709455
ChEMBL: CHEMBL1904124
Nikkaji: J2.709.994G

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 50.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 332

Related reactions

2 records

New reaction record

HRID 1059358As reactantuspto-grants-2003_02

HRID 2130158As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

Loading…