2-[[2-(2,6-dioxopiperidin-3-yl)-3-methoxy-1-oxo-3H-isoindol-5-yl]oxy]acetaldehyde

C16H16N2O6 — CID 142596904

IUPAC2-[[2-(2,6-dioxopiperidin-3-yl)-3-methoxy-1-oxo-3H-isoindol-5-yl]oxy]acetaldehyde
SMILESCOC1c2cc(OCC=O)ccc2C(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C16H16N2O6/c1-23-16-11-8-9(24-7-6-19)2-3-10(11)15(22)18(16)12-4-5-13(20)17-14(12)21/h2-3,6,8,12,16H,4-5,7H2,1H3,(H,17,20,21)
InChIKeyGAGYWFGMIVHKHR-UHFFFAOYSA-N
MW332.31 g/mol
LogP0.17
Rot. Bonds5

About 2-[[2-(2,6-dioxopiperidin-3-yl)-3-methoxy-1-oxo-3H-isoindol-5-yl]oxy]acetaldehyde

2-[[2-(2,6-dioxopiperidin-3-yl)-3-methoxy-1-oxo-3H-isoindol-5-yl]oxy]acetaldehyde (PubChem CID 142596904) has the molecular formula C16H16N2O6 and a molecular weight of 332.31 g/mol. Its IUPAC name is 2-[[2-(2,6-dioxopiperidin-3-yl)-3-methoxy-1-oxo-3H-isoindol-5-yl]oxy]acetaldehyde.

Molecular Properties

Compound Name2-[[2-(2,6-dioxopiperidin-3-yl)-3-methoxy-1-oxo-3H-isoindol-5-yl]oxy]acetaldehyde
PubChem CID142596904
Molecular FormulaC16H16N2O6
Molecular Weight332.31 g/mol
Exact Mass332.10
IUPAC Name2-[[2-(2,6-dioxopiperidin-3-yl)-3-methoxy-1-oxo-3H-isoindol-5-yl]oxy]acetaldehyde
SMILESCOC1c2cc(OCC=O)ccc2C(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C16H16N2O6/c1-23-16-11-8-9(24-7-6-19)2-3-10(11)15(22)18(16)12-4-5-13(20)17-14(12)21/h2-3,6,8,12,16H,4-5,7H2,1H3,(H,17,20,21)
InChIKeyGAGYWFGMIVHKHR-UHFFFAOYSA-N
XLogP0.17
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[2-(2,6-dioxopiperidin-3-yl)-3-methoxy-1-oxo-3H-isoindol-5-yl]oxy]acetaldehyde with MolForge

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Related Compounds

3-(5-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 139483267
8-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyoctanal
CID 170704041
5-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]pentanal
CID 134489138
5-(2-chloroethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 135147131
3-(1-methyl-3-oxo-6-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 163222672
2-(2,6-dioxopiperidin-3-yl)-5-[3-(methylamino)propoxy]isoindole-1,3-dione;hydrochloride
CID 166064309
2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
CID 156828351
3-(1-hydroxy-3-oxo-6-pent-1-en-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155036962
2-(2,6-dioxopiperidin-3-yl)-5-[(2R)-2-methylbutoxy]isoindole-1,3-dione
CID 156729159
5-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 169449996
5-(3,3-difluorobutoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167763432
2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
CID 166064249

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dioxopiperidin-3-yl)-3-methoxy-1-oxo-3H-isoindol-5-yl]oxy]acetaldehyde?
The IUPAC name of 2-[[2-(2,6-dioxopiperidin-3-yl)-3-methoxy-1-oxo-3H-isoindol-5-yl]oxy]acetaldehyde (CID 142596904) is 2-[[2-(2,6-dioxopiperidin-3-yl)-3-methoxy-1-oxo-3H-isoindol-5-yl]oxy]acetaldehyde.
What is the SMILES notation for 2-[[2-(2,6-dioxopiperidin-3-yl)-3-methoxy-1-oxo-3H-isoindol-5-yl]oxy]acetaldehyde?
The canonical SMILES for 2-[[2-(2,6-dioxopiperidin-3-yl)-3-methoxy-1-oxo-3H-isoindol-5-yl]oxy]acetaldehyde is COC1c2cc(OCC=O)ccc2C(=O)N1C1CCC(=O)NC1=O.
What is the InChIKey of 2-[[2-(2,6-dioxopiperidin-3-yl)-3-methoxy-1-oxo-3H-isoindol-5-yl]oxy]acetaldehyde?
The InChIKey is GAGYWFGMIVHKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6/c1-23-16-11-8-9(24-7-6-19)2-3-10(11)15(22)18(16)12-4-5-13(20)17-14(12)21/h2-3,6,8,12,16H,4-5,7H2,1H3,(H,17,20,21).
What are the key properties of 2-[[2-(2,6-dioxopiperidin-3-yl)-3-methoxy-1-oxo-3H-isoindol-5-yl]oxy]acetaldehyde?
2-[[2-(2,6-dioxopiperidin-3-yl)-3-methoxy-1-oxo-3H-isoindol-5-yl]oxy]acetaldehyde has a molecular weight of 332.31 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dioxopiperidin-3-yl)-3-methoxy-1-oxo-3H-isoindol-5-yl]oxy]acetaldehyde is sourced from PubChem (CID 142596904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).