2-(4,6-dioxo-5-azaspiro[2.5]octan-7-yl)-5-methylisoindole-1,3-dione

C16H14N2O4 — CID 165166632

IUPAC2-(4,6-dioxo-5-azaspiro[2.5]octan-7-yl)-5-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(C1CC3(CC3)C(=O)NC1=O)C2=O
InChIInChI=1S/C16H14N2O4/c1-8-2-3-9-10(6-8)14(21)18(13(9)20)11-7-16(4-5-16)15(22)17-12(11)19/h2-3,6,11H,4-5,7H2,1H3,(H,17,19,22)
InChIKeyVUVVCJQCYCTSPA-UHFFFAOYSA-N
MW298.30 g/mol
LogP0.79
Rot. Bonds1

About 2-(4,6-dioxo-5-azaspiro[2.5]octan-7-yl)-5-methylisoindole-1,3-dione

2-(4,6-dioxo-5-azaspiro[2.5]octan-7-yl)-5-methylisoindole-1,3-dione (PubChem CID 165166632) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-(4,6-dioxo-5-azaspiro[2.5]octan-7-yl)-5-methylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(4,6-dioxo-5-azaspiro[2.5]octan-7-yl)-5-methylisoindole-1,3-dione
PubChem CID165166632
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name2-(4,6-dioxo-5-azaspiro[2.5]octan-7-yl)-5-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(C1CC3(CC3)C(=O)NC1=O)C2=O
InChIInChI=1S/C16H14N2O4/c1-8-2-3-9-10(6-8)14(21)18(13(9)20)11-7-16(4-5-16)15(22)17-12(11)19/h2-3,6,11H,4-5,7H2,1H3,(H,17,19,22)
InChIKeyVUVVCJQCYCTSPA-UHFFFAOYSA-N
XLogP0.79
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4,6-dioxo-5-azaspiro[2.5]octan-7-yl)-5-methylisoindole-1,3-dione with MolForge

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane
CID 142365131
3-(5-methyl-1-methylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione
CID 170055897
5-(dimethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 159256748
2-(2,5-dioxopyrrolidin-3-yl)-5-methylsulfanylisoindole-1,3-dione
CID 175620579
2-(azepan-4-yl)-5-methylisoindole-1,3-dione
CID 107174334
2-(2,6-dioxopiperidin-3-yl)-5-nitrosoisoindole-1,3-dione
CID 163290580
2-cyclopropyl-5-methyl-3-methylideneisoindol-1-one
CID 142829652
CID 144533118
CID 144533118
ethane;5-methyl-2-(7-oxo-1-oxa-8-azaspiro[2.5]octan-4-yl)isoindole-1,3-dione;molecular hydrogen
CID 157028606
2-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)isoindole-1,3-dione
CID 135273269
2-(2,6-dioxopiperidin-3-yl)-5-(methylamino)isoindole-1,3-dione;ethane
CID 166535785
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dioxo-5-azaspiro[2.5]octan-7-yl)-5-methylisoindole-1,3-dione?
The IUPAC name of 2-(4,6-dioxo-5-azaspiro[2.5]octan-7-yl)-5-methylisoindole-1,3-dione (CID 165166632) is 2-(4,6-dioxo-5-azaspiro[2.5]octan-7-yl)-5-methylisoindole-1,3-dione.
What is the SMILES notation for 2-(4,6-dioxo-5-azaspiro[2.5]octan-7-yl)-5-methylisoindole-1,3-dione?
The canonical SMILES for 2-(4,6-dioxo-5-azaspiro[2.5]octan-7-yl)-5-methylisoindole-1,3-dione is Cc1ccc2c(c1)C(=O)N(C1CC3(CC3)C(=O)NC1=O)C2=O.
What is the InChIKey of 2-(4,6-dioxo-5-azaspiro[2.5]octan-7-yl)-5-methylisoindole-1,3-dione?
The InChIKey is VUVVCJQCYCTSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-8-2-3-9-10(6-8)14(21)18(13(9)20)11-7-16(4-5-16)15(22)17-12(11)19/h2-3,6,11H,4-5,7H2,1H3,(H,17,19,22).
What are the key properties of 2-(4,6-dioxo-5-azaspiro[2.5]octan-7-yl)-5-methylisoindole-1,3-dione?
2-(4,6-dioxo-5-azaspiro[2.5]octan-7-yl)-5-methylisoindole-1,3-dione has a molecular weight of 298.30 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dioxo-5-azaspiro[2.5]octan-7-yl)-5-methylisoindole-1,3-dione is sourced from PubChem (CID 165166632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).