2-(2,6-dioxopiperidin-3-yl)-4-prop-1-ynylisoindole-1,3-dione

C16H12N2O4 — CID 146410790

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-prop-1-ynylisoindole-1,3-dione
SMILESCC#Cc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C16H12N2O4/c1-2-4-9-5-3-6-10-13(9)16(22)18(15(10)21)11-7-8-12(19)17-14(11)20/h3,5-6,11H,7-8H2,1H3,(H,17,19,20)
InChIKeyCJGUMYBCXNBFHR-UHFFFAOYSA-N
MW296.28 g/mol
LogP0.46
Rot. Bonds1

About 2-(2,6-dioxopiperidin-3-yl)-4-prop-1-ynylisoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-prop-1-ynylisoindole-1,3-dione (PubChem CID 146410790) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-prop-1-ynylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-prop-1-ynylisoindole-1,3-dione
PubChem CID146410790
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-prop-1-ynylisoindole-1,3-dione
SMILESCC#Cc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C16H12N2O4/c1-2-4-9-5-3-6-10-13(9)16(22)18(15(10)21)11-7-8-12(19)17-14(11)20/h3,5-6,11H,7-8H2,1H3,(H,17,19,20)
InChIKeyCJGUMYBCXNBFHR-UHFFFAOYSA-N
XLogP0.46
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-4-prop-1-ynylisoindole-1,3-dione with MolForge

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Related Compounds

4-but-1-ynyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 159184861
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-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
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)isoindole-1,3-dione;dihydrate
CID 135349767
2-(2,6-dioxopiperidin-3-yl)-4-methyliodanuidylisoindole-1,3-dione
CID 156883025
2-[(3R)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione
CID 139441450
2-(2,6-dioxopiperidin-3-yl)-4-methoxyisoindole-1,3-dione
CID 158666282
4-tert-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 134488749

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-prop-1-ynylisoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-prop-1-ynylisoindole-1,3-dione (CID 146410790) is 2-(2,6-dioxopiperidin-3-yl)-4-prop-1-ynylisoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-prop-1-ynylisoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-prop-1-ynylisoindole-1,3-dione is CC#Cc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-prop-1-ynylisoindole-1,3-dione?
The InChIKey is CJGUMYBCXNBFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c1-2-4-9-5-3-6-10-13(9)16(22)18(15(10)21)11-7-8-12(19)17-14(11)20/h3,5-6,11H,7-8H2,1H3,(H,17,19,20).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-prop-1-ynylisoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-prop-1-ynylisoindole-1,3-dione has a molecular weight of 296.28 g/mol, XLogP of 0.46, 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)-4-prop-1-ynylisoindole-1,3-dione is sourced from PubChem (CID 146410790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).