3-(5-methyl-1-methylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione

C15H14N2O3 — CID 170055897

IUPAC3-(5-methyl-1-methylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione
SMILESC=C1c2ccc(C)cc2C(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C15H14N2O3/c1-8-3-4-10-9(2)17(15(20)11(10)7-8)12-5-6-13(18)16-14(12)19/h3-4,7,12H,2,5-6H2,1H3,(H,16,18,19)
InChIKeyGJOUUYUZIVJVQJ-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.23
Rot. Bonds1

About 3-(5-methyl-1-methylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione

3-(5-methyl-1-methylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione (PubChem CID 170055897) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-(5-methyl-1-methylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(5-methyl-1-methylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione
PubChem CID170055897
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name3-(5-methyl-1-methylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione
SMILESC=C1c2ccc(C)cc2C(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C15H14N2O3/c1-8-3-4-10-9(2)17(15(20)11(10)7-8)12-5-6-13(18)16-14(12)19/h3-4,7,12H,2,5-6H2,1H3,(H,16,18,19)
InChIKeyGJOUUYUZIVJVQJ-UHFFFAOYSA-N
XLogP1.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
[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-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
4-amino-2-(2,6-dioxopiperidin-3-yl)-6-methylisoindole-1,3-dione;propane
CID 166155279
2-(2,6-dioxopiperidin-3-yl)-5-nitrosoisoindole-1,3-dione
CID 163290580
ethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155599247
2-(2,6-dioxopiperidin-3-yl)-5-(methylamino)isoindole-1,3-dione;ethane
CID 166535785
2-(2,6-dioxopiperidin-3-yl)-6-methyl-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione
CID 170402784

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1-methylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(5-methyl-1-methylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione (CID 170055897) is 3-(5-methyl-1-methylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(5-methyl-1-methylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(5-methyl-1-methylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione is C=C1c2ccc(C)cc2C(=O)N1C1CCC(=O)NC1=O.
What is the InChIKey of 3-(5-methyl-1-methylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione?
The InChIKey is GJOUUYUZIVJVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-8-3-4-10-9(2)17(15(20)11(10)7-8)12-5-6-13(18)16-14(12)19/h3-4,7,12H,2,5-6H2,1H3,(H,16,18,19).
What are the key properties of 3-(5-methyl-1-methylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione?
3-(5-methyl-1-methylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione has a molecular weight of 270.29 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1-methylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 170055897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).