2-[2-(2,6-dioxopiperidin-3-yl)-7-hydroxyisoindol-1-yl]-2-oxoacetaldehyde

C₁₅H₁₂N₂O₅ — CID 174984156

About 2-[2-(2,6-dioxopiperidin-3-yl)-7-hydroxyisoindol-1-yl]-2-oxoacetaldehyde

2-[2-(2,6-dioxopiperidin-3-yl)-7-hydroxyisoindol-1-yl]-2-oxoacetaldehyde (PubChem CID 174984156) has the molecular formula C₁₅H₁₂N₂O₅ and a molecular weight of 300.27 g/mol. Its IUPAC name is 2-[2-(2,6-dioxopiperidin-3-yl)-7-hydroxyisoindol-1-yl]-2-oxoacetaldehyde.

Molecular Properties

• Compound Name: 2-[2-(2,6-dioxopiperidin-3-yl)-7-hydroxyisoindol-1-yl]-2-oxoacetaldehyde
• PubChem CID: 174984156
• Molecular Formula: C₁₅H₁₂N₂O₅
• Molecular Weight: 300.27 g/mol
• Exact Mass: 300.07
• IUPAC Name: 2-[2-(2,6-dioxopiperidin-3-yl)-7-hydroxyisoindol-1-yl]-2-oxoacetaldehyde
• SMILES: O=CC(=O)c1c2c(O)cccc2cn1C1CCC(=O)NC1=O
• InChI: InChI=1S/C15H12N2O5/c18-7-11(20)14-13-8(2-1-3-10(13)19)6-17(14)9-4-5-12(21)16-15(9)22/h1-3,6-7,9,19H,4-5H2,(H,16,21,22)
• InChIKey: LNFUHSRMRUYIPD-UHFFFAOYSA-N
• XLogP: 0.71
• TPSA: 105.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	300.27
LogP ≤ 5	0.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dioxopiperidin-3-yl)-7-hydroxyisoindol-1-yl]-2-oxoacetaldehyde?

The IUPAC name of 2-[2-(2,6-dioxopiperidin-3-yl)-7-hydroxyisoindol-1-yl]-2-oxoacetaldehyde (CID 174984156) is 2-[2-(2,6-dioxopiperidin-3-yl)-7-hydroxyisoindol-1-yl]-2-oxoacetaldehyde.

What is the SMILES notation for 2-[2-(2,6-dioxopiperidin-3-yl)-7-hydroxyisoindol-1-yl]-2-oxoacetaldehyde?

The canonical SMILES for 2-[2-(2,6-dioxopiperidin-3-yl)-7-hydroxyisoindol-1-yl]-2-oxoacetaldehyde is O=CC(=O)c1c2c(O)cccc2cn1C1CCC(=O)NC1=O.

What is the InChIKey of 2-[2-(2,6-dioxopiperidin-3-yl)-7-hydroxyisoindol-1-yl]-2-oxoacetaldehyde?

The InChIKey is LNFUHSRMRUYIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O5/c18-7-11(20)14-13-8(2-1-3-10(13)19)6-17(14)9-4-5-12(21)16-15(9)22/h1-3,6-7,9,19H,4-5H2,(H,16,21,22).

What are the key properties of 2-[2-(2,6-dioxopiperidin-3-yl)-7-hydroxyisoindol-1-yl]-2-oxoacetaldehyde?

2-[2-(2,6-dioxopiperidin-3-yl)-7-hydroxyisoindol-1-yl]-2-oxoacetaldehyde has a molecular weight of 300.27 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2,6-dioxopiperidin-3-yl)-7-hydroxyisoindol-1-yl]-2-oxoacetaldehyde is sourced from PubChem (CID 174984156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 174984156 — identifiers, structure, computed properties (public domain)

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