2-(2,6-dioxopiperidin-3-yl)-5-hydroxy-6-methoxyisoindole-1,3-dione

C14H12N2O6 — CID 163267813

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-hydroxy-6-methoxyisoindole-1,3-dione
SMILESCOc1cc2c(cc1O)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C14H12N2O6/c1-22-10-5-7-6(4-9(10)17)13(20)16(14(7)21)8-2-3-11(18)15-12(8)19/h4-5,8,17H,2-3H2,1H3,(H,15,18,19)
InChIKeyQAHIZNTTWSDGBU-UHFFFAOYSA-N
MW304.26 g/mol
LogP-0.20
Rot. Bonds2

About 2-(2,6-dioxopiperidin-3-yl)-5-hydroxy-6-methoxyisoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-hydroxy-6-methoxyisoindole-1,3-dione (PubChem CID 163267813) has the molecular formula C14H12N2O6 and a molecular weight of 304.26 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-hydroxy-6-methoxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-hydroxy-6-methoxyisoindole-1,3-dione
PubChem CID163267813
Molecular FormulaC14H12N2O6
Molecular Weight304.26 g/mol
Exact Mass304.07
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-hydroxy-6-methoxyisoindole-1,3-dione
SMILESCOc1cc2c(cc1O)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C14H12N2O6/c1-22-10-5-7-6(4-9(10)17)13(20)16(14(7)21)8-2-3-11(18)15-12(8)19/h4-5,8,17H,2-3H2,1H3,(H,15,18,19)
InChIKeyQAHIZNTTWSDGBU-UHFFFAOYSA-N
XLogP-0.20
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-5-hydroxy-6-methoxyisoindole-1,3-dione 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-(2,6-dioxopiperidin-3-yl)-4-methoxyisoindole-1,3-dione
CID 158666282
2-(2,6-dioxopiperidin-3-yl)-6-methyl-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione
CID 170402784
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
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
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane
CID 142365131
7-(2,6-dioxopiperidin-3-yl)pyrrolo[3,4-g]phthalazine-6,8-dione
CID 171588178
7-(2,6-dioxopiperidin-3-yl)-3a,4,10,10a-tetrahydroisoindolo[5,6-f]isoindole-1,3,6,8-tetrone
CID 172549870
[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]boronic acid
CID 177125946
2-(2,6-dioxopiperidin-3-yl)-6-methylpyrrolo[3,4-c]pyridine-1,3-dione;ethane
CID 164919630
5-(dimethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 159256748

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-hydroxy-6-methoxyisoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-hydroxy-6-methoxyisoindole-1,3-dione (CID 163267813) is 2-(2,6-dioxopiperidin-3-yl)-5-hydroxy-6-methoxyisoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-hydroxy-6-methoxyisoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-hydroxy-6-methoxyisoindole-1,3-dione is COc1cc2c(cc1O)C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-hydroxy-6-methoxyisoindole-1,3-dione?
The InChIKey is QAHIZNTTWSDGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O6/c1-22-10-5-7-6(4-9(10)17)13(20)16(14(7)21)8-2-3-11(18)15-12(8)19/h4-5,8,17H,2-3H2,1H3,(H,15,18,19).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-hydroxy-6-methoxyisoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-hydroxy-6-methoxyisoindole-1,3-dione has a molecular weight of 304.26 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-hydroxy-6-methoxyisoindole-1,3-dione is sourced from PubChem (CID 163267813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).