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

C15H12N2O5 — CID 174984156

IUPAC2-[2-(2,6-dioxopiperidin-3-yl)-7-hydroxyisoindol-1-yl]-2-oxoacetaldehyde
SMILESO=CC(=O)c1c2c(O)cccc2cn1C1CCC(=O)NC1=O
InChIInChI=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)
InChIKeyLNFUHSRMRUYIPD-UHFFFAOYSA-N
MW300.27 g/mol
LogP0.71
Rot. Bonds3

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 Name2-[2-(2,6-dioxopiperidin-3-yl)-7-hydroxyisoindol-1-yl]-2-oxoacetaldehyde
PubChem CID174984156
Molecular FormulaC15H12N2O5
Molecular Weight300.27 g/mol
Exact Mass300.07
IUPAC Name2-[2-(2,6-dioxopiperidin-3-yl)-7-hydroxyisoindol-1-yl]-2-oxoacetaldehyde
SMILESO=CC(=O)c1c2c(O)cccc2cn1C1CCC(=O)NC1=O
InChIInChI=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)
InChIKeyLNFUHSRMRUYIPD-UHFFFAOYSA-N
XLogP0.71
TPSA105.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindol-1-yl]-2-oxoacetaldehyde
CID 155212165
3-(4-fluoroisoindol-2-yl)piperidine-2,6-dione
CID 150148571
3-(5-hydroxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146598490
2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindole-4-carbonitrile
CID 91259268
bis((E)-but-2-enedioic acid);2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 175735508
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
7-hydroxy-3-methylidene-2-(2-methylidene-6-oxopiperidin-3-yl)isoindol-1-one
CID 163747297
3-(7-hydroxy-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 155177543
3-indazol-2-ylpiperidine-2,6-dione
CID 138467082
3-(4-hydroxy-1-sulfanyl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 176674099

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).