3-(1-cyclobutylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione

C17H16N2O3 — CID 155037241

IUPAC3-(1-cyclobutylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2C(=O)c3ccccc3C2=C2CCC2)C(=O)N1
InChIInChI=1S/C17H16N2O3/c20-14-9-8-13(16(21)18-14)19-15(10-4-3-5-10)11-6-1-2-7-12(11)17(19)22/h1-2,6-7,13H,3-5,8-9H2,(H,18,20,21)
InChIKeyJYAUWBZPZIHVKL-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.84
Rot. Bonds1

About 3-(1-cyclobutylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione

3-(1-cyclobutylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione (PubChem CID 155037241) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-(1-cyclobutylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(1-cyclobutylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione
PubChem CID155037241
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name3-(1-cyclobutylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2C(=O)c3ccccc3C2=C2CCC2)C(=O)N1
InChIInChI=1S/C17H16N2O3/c20-14-9-8-13(16(21)18-14)19-15(10-4-3-5-10)11-6-1-2-7-12(11)17(19)22/h1-2,6-7,13H,3-5,8-9H2,(H,18,20,21)
InChIKeyJYAUWBZPZIHVKL-UHFFFAOYSA-N
XLogP1.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.84
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
bis((E)-but-2-enedioic acid);2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 175735508
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid
CID 175762489
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176
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
2-[2-(2-aminoethoxy)ethoxy]ethanamine;2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 145382151
2-[(3R)-3-deuterio-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 45101957
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrate
CID 135349767
4-cyclopentyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 146547456

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclobutylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(1-cyclobutylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione (CID 155037241) is 3-(1-cyclobutylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(1-cyclobutylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(1-cyclobutylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione is O=C1CCC(N2C(=O)c3ccccc3C2=C2CCC2)C(=O)N1.
What is the InChIKey of 3-(1-cyclobutylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione?
The InChIKey is JYAUWBZPZIHVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c20-14-9-8-13(16(21)18-14)19-15(10-4-3-5-10)11-6-1-2-7-12(11)17(19)22/h1-2,6-7,13H,3-5,8-9H2,(H,18,20,21).
What are the key properties of 3-(1-cyclobutylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione?
3-(1-cyclobutylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione has a molecular weight of 296.33 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclobutylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 155037241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).