2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane

C16H18N2O4 — CID 142365131

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane
SMILESCC.Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C14H12N2O4.C2H6/c1-7-2-3-8-9(6-7)14(20)16(13(8)19)10-4-5-11(17)15-12(10)18;1-2/h2-3,6,10H,4-5H2,1H3,(H,15,17,18);1-2H3
InChIKeyPJJKOUONRDCVSC-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.42
Rot. Bonds1

About 2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane

2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane (PubChem CID 142365131) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane
PubChem CID142365131
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane
SMILESCC.Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C14H12N2O4.C2H6/c1-7-2-3-8-9(6-7)14(20)16(13(8)19)10-4-5-11(17)15-12(10)18;1-2/h2-3,6,10H,4-5H2,1H3,(H,15,17,18);1-2H3
InChIKeyPJJKOUONRDCVSC-UHFFFAOYSA-N
XLogP1.42
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.42
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

3-(5-methyl-1-methylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione
CID 170055897
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxopiperidin-3-yl)-5-(methylamino)isoindole-1,3-dione;ethane
CID 166535785
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-(dimethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 159256748
2-(2,6-dioxopiperidin-3-yl)-5-nitrosoisoindole-1,3-dione
CID 163290580
2-(2,6-dioxopiperidin-3-yl)-5-piperidin-4-ylisoindole-1,3-dione;ethane
CID 142367515
2-(2,6-dioxopiperidin-3-yl)-5-(4-methylpiperazin-1-yl)isoindole-1,3-dione;ethane
CID 171786631
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane (CID 142365131) is 2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane is CC.Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane?
The InChIKey is PJJKOUONRDCVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4.C2H6/c1-7-2-3-8-9(6-7)14(20)16(13(8)19)10-4-5-11(17)15-12(10)18;1-2/h2-3,6,10H,4-5H2,1H3,(H,15,17,18);1-2H3.
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane?
2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane has a molecular weight of 302.33 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane is sourced from PubChem (CID 142365131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).