2-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)isoindole-1,3-dione

C13H11N3O4 — CID 135273269

IUPAC2-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)isoindole-1,3-dione
SMILESCN1CC(N2C(=O)c3ccccc3C2=O)C(=O)NC1=O
InChIInChI=1S/C13H11N3O4/c1-15-6-9(10(17)14-13(15)20)16-11(18)7-4-2-3-5-8(7)12(16)19/h2-5,9H,6H2,1H3,(H,14,17,20)
InChIKeyLZNLOWXWWYOBQI-UHFFFAOYSA-N
MW273.25 g/mol
LogP-0.17
Rot. Bonds1

About 2-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)isoindole-1,3-dione

2-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)isoindole-1,3-dione (PubChem CID 135273269) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)isoindole-1,3-dione
PubChem CID135273269
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name2-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)isoindole-1,3-dione
SMILESCN1CC(N2C(=O)c3ccccc3C2=O)C(=O)NC1=O
InChIInChI=1S/C13H11N3O4/c1-15-6-9(10(17)14-13(15)20)16-11(18)7-4-2-3-5-8(7)12(16)19/h2-5,9H,6H2,1H3,(H,14,17,20)
InChIKeyLZNLOWXWWYOBQI-UHFFFAOYSA-N
XLogP-0.17
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)isoindole-1,3-dione with MolForge

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Related Compounds

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
[5-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl] acetate
CID 10805336
2-[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]isoindole-1,3-dione
CID 92977923
2-(2,6-dioxo-5-phenylpiperidin-3-yl)isoindole-1,3-dione
CID 10640444
2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)isoindole-1,3-dione
CID 13375158
2-[(3R)-2-oxopiperidin-3-yl]isoindole-1,3-dione
CID 1494048
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
bis((E)-but-2-enedioic acid);2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 175735508
2-(2-oxo-1,3,4,5,5a,6-hexahydro-1-benzazepin-3-yl)isoindole-1,3-dione
CID 175194064

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)isoindole-1,3-dione?
The IUPAC name of 2-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)isoindole-1,3-dione (CID 135273269) is 2-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)isoindole-1,3-dione is CN1CC(N2C(=O)c3ccccc3C2=O)C(=O)NC1=O.
What is the InChIKey of 2-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)isoindole-1,3-dione?
The InChIKey is LZNLOWXWWYOBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c1-15-6-9(10(17)14-13(15)20)16-11(18)7-4-2-3-5-8(7)12(16)19/h2-5,9H,6H2,1H3,(H,14,17,20).
What are the key properties of 2-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)isoindole-1,3-dione?
2-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)isoindole-1,3-dione has a molecular weight of 273.25 g/mol, XLogP of -0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)isoindole-1,3-dione is sourced from PubChem (CID 135273269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).