3-(5-ethenyl-3-ethenylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione

C17H14N2O3 — CID 155583148

IUPAC3-(5-ethenyl-3-ethenylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione
SMILESC=C=C1c2cc(C=C)ccc2C(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C17H14N2O3/c1-3-10-5-6-11-12(9-10)13(4-2)19(17(11)22)14-7-8-15(20)18-16(14)21/h3,5-6,9,14H,1-2,7-8H2,(H,18,20,21)
InChIKeyWDRJSGPTACZQSY-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.72
Rot. Bonds2

About 3-(5-ethenyl-3-ethenylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione

3-(5-ethenyl-3-ethenylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione (PubChem CID 155583148) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-(5-ethenyl-3-ethenylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(5-ethenyl-3-ethenylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione
PubChem CID155583148
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name3-(5-ethenyl-3-ethenylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione
SMILESC=C=C1c2cc(C=C)ccc2C(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C17H14N2O3/c1-3-10-5-6-11-12(9-10)13(4-2)19(17(11)22)14-7-8-15(20)18-16(14)21/h3,5-6,9,14H,1-2,7-8H2,(H,18,20,21)
InChIKeyWDRJSGPTACZQSY-UHFFFAOYSA-N
XLogP1.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.72
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-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)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane
CID 142365131
2-(2,6-dioxopiperidin-3-yl)-5-nitrosoisoindole-1,3-dione
CID 163290580
2-[(3S)-2,6-dioxopiperidin-3-yl]-5-nitroisoindole-1,3-dione
CID 22893957
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-hydroxyacetaldehyde
CID 166784786
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]prop-2-enamide
CID 121448709
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

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethenyl-3-ethenylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(5-ethenyl-3-ethenylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione (CID 155583148) is 3-(5-ethenyl-3-ethenylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(5-ethenyl-3-ethenylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(5-ethenyl-3-ethenylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione is C=C=C1c2cc(C=C)ccc2C(=O)N1C1CCC(=O)NC1=O.
What is the InChIKey of 3-(5-ethenyl-3-ethenylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione?
The InChIKey is WDRJSGPTACZQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-3-10-5-6-11-12(9-10)13(4-2)19(17(11)22)14-7-8-15(20)18-16(14)21/h3,5-6,9,14H,1-2,7-8H2,(H,18,20,21).
What are the key properties of 3-(5-ethenyl-3-ethenylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione?
3-(5-ethenyl-3-ethenylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione has a molecular weight of 294.31 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethenyl-3-ethenylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 155583148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).