2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione

C13H10N2O4 — CID 46898587

IUPAC2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
SMILESO=C1[13CH2]CC(N2C(=O)c3ccccc3C2=O)C(=O)N1
InChIInChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)/i6+1
InChIKeyUEJJHQNACJXSKW-PTQBSOBMSA-N
MW259.23 g/mol
LogP0.09
Rot. Bonds1

About 2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione

2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione (PubChem CID 46898587) has the molecular formula C13H10N2O4 and a molecular weight of 259.23 g/mol. Its IUPAC name is 2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
PubChem CID46898587
Molecular FormulaC13H10N2O4
Molecular Weight259.23 g/mol
Exact Mass259.07
IUPAC Name2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
SMILESO=C1[13CH2]CC(N2C(=O)c3ccccc3C2=O)C(=O)N1
InChIInChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)/i6+1
InChIKeyUEJJHQNACJXSKW-PTQBSOBMSA-N
XLogP0.09
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
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;2,2,2-trifluoroacetic acid
CID 175762489
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176
3-(1-cyclobutylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione
CID 155037241
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanamine
CID 160955629
2-[2-(2-aminoethoxy)ethoxy]ethanamine;2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 145382151
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrate
CID 135349767
tetrakis(2,2-dimethylpropane);bis(2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione);bis(3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione)
CID 163449958
2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane
CID 142365131

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione (CID 46898587) is 2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione is O=C1[13CH2]CC(N2C(=O)c3ccccc3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione?
The InChIKey is UEJJHQNACJXSKW-PTQBSOBMSA-N. The full InChI is InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)/i6+1.
What are the key properties of 2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione?
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione has a molecular weight of 259.23 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 46898587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).