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

C13H9N3O5 — CID 163290580

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-nitrosoisoindole-1,3-dione
SMILESO=Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C13H9N3O5/c17-10-4-3-9(11(18)14-10)16-12(19)7-2-1-6(15-21)5-8(7)13(16)20/h1-2,5,9H,3-4H2,(H,14,17,18)
InChIKeyNTNGVYDKDUGPDM-UHFFFAOYSA-N
MW287.23 g/mol
LogP0.49
Rot. Bonds2

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

2-(2,6-dioxopiperidin-3-yl)-5-nitrosoisoindole-1,3-dione (PubChem CID 163290580) has the molecular formula C13H9N3O5 and a molecular weight of 287.23 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-nitrosoisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-nitrosoisoindole-1,3-dione
PubChem CID163290580
Molecular FormulaC13H9N3O5
Molecular Weight287.23 g/mol
Exact Mass287.05
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-nitrosoisoindole-1,3-dione
SMILESO=Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C13H9N3O5/c17-10-4-3-9(11(18)14-10)16-12(19)7-2-1-6(15-21)5-8(7)13(16)20/h1-2,5,9H,3-4H2,(H,14,17,18)
InChIKeyNTNGVYDKDUGPDM-UHFFFAOYSA-N
XLogP0.49
TPSA112.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-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
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
5-(azetidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 164846090
[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]boronic acid
CID 177125946
5-(dimethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 159256748
2-(2,6-dioxopiperidin-3-yl)-5-(methylamino)isoindole-1,3-dione;ethane
CID 166535785
2-[(3S)-2,6-dioxopiperidin-3-yl]-5-nitroisoindole-1,3-dione
CID 22893957
5-(2-chloroethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 135147131
2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione
CID 134413720

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-nitrosoisoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-nitrosoisoindole-1,3-dione (CID 163290580) is 2-(2,6-dioxopiperidin-3-yl)-5-nitrosoisoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-nitrosoisoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-nitrosoisoindole-1,3-dione is O=Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-nitrosoisoindole-1,3-dione?
The InChIKey is NTNGVYDKDUGPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O5/c17-10-4-3-9(11(18)14-10)16-12(19)7-2-1-6(15-21)5-8(7)13(16)20/h1-2,5,9H,3-4H2,(H,14,17,18).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-nitrosoisoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-nitrosoisoindole-1,3-dione has a molecular weight of 287.23 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-nitrosoisoindole-1,3-dione is sourced from PubChem (CID 163290580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).