3,3-bis[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]pyrrolidine-2,5-dione

C24H23N3O6 — CID 91150550

IUPAC3,3-bis[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]pyrrolidine-2,5-dione
SMILESCOc1ccc2c(O)n(CC3(Cn4cc5cc(OC)ccc5c4O)CC(=O)NC3=O)cc2c1
InChIInChI=1S/C24H23N3O6/c1-32-16-3-5-18-14(7-16)10-26(21(18)29)12-24(9-20(28)25-23(24)31)13-27-11-15-8-17(33-2)4-6-19(15)22(27)30/h3-8,10-11,29-30H,9,12-13H2,1-2H3,(H,25,28,31)
InChIKeyGUXMNWFJZPTJON-UHFFFAOYSA-N
MW449.46 g/mol
LogP2.76
Rot. Bonds6

About 3,3-bis[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]pyrrolidine-2,5-dione

3,3-bis[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 91150550) has the molecular formula C24H23N3O6 and a molecular weight of 449.46 g/mol. Its IUPAC name is 3,3-bis[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-bis[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]pyrrolidine-2,5-dione
PubChem CID91150550
Molecular FormulaC24H23N3O6
Molecular Weight449.46 g/mol
Exact Mass449.16
IUPAC Name3,3-bis[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]pyrrolidine-2,5-dione
SMILESCOc1ccc2c(O)n(CC3(Cn4cc5cc(OC)ccc5c4O)CC(=O)NC3=O)cc2c1
InChIInChI=1S/C24H23N3O6/c1-32-16-3-5-18-14(7-16)10-26(21(18)29)12-24(9-20(28)25-23(24)31)13-27-11-15-8-17(33-2)4-6-19(15)22(27)30/h3-8,10-11,29-30H,9,12-13H2,1-2H3,(H,25,28,31)
InChIKeyGUXMNWFJZPTJON-UHFFFAOYSA-N
XLogP2.76
TPSA114.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-hydroxyphenyl)imidazolidine-2,4-dione
CID 91518354
5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
CID 91071298
5-(1-acetylpiperidin-4-yl)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91088572
5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)imidazolidine-2,4-dione
CID 91266867
(5R)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione
CID 91337439
5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 91258994
(5R)-5-(4-fluorophenyl)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91099618
(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione
CID 90994832
(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione
CID 90884281
ethyl 2-[4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]acetate
CID 91043741
4-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide
CID 91410877
5-[2-(4-fluorophenyl)ethynyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90733972

Frequently Asked Questions

What is the IUPAC name of 3,3-bis[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3,3-bis[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]pyrrolidine-2,5-dione (CID 91150550) is 3,3-bis[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-bis[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-bis[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]pyrrolidine-2,5-dione is COc1ccc2c(O)n(CC3(Cn4cc5cc(OC)ccc5c4O)CC(=O)NC3=O)cc2c1.
What is the InChIKey of 3,3-bis[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is GUXMNWFJZPTJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O6/c1-32-16-3-5-18-14(7-16)10-26(21(18)29)12-24(9-20(28)25-23(24)31)13-27-11-15-8-17(33-2)4-6-19(15)22(27)30/h3-8,10-11,29-30H,9,12-13H2,1-2H3,(H,25,28,31).
What are the key properties of 3,3-bis[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]pyrrolidine-2,5-dione?
3,3-bis[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 449.46 g/mol, XLogP of 2.76, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 91150550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).