2-(2,6-dioxopiperidin-3-yl)-4,5-dimethyl-4,5-dihydroisoindole-1,3-dione

C15H16N2O4 — CID 71021937

IUPAC2-(2,6-dioxopiperidin-3-yl)-4,5-dimethyl-4,5-dihydroisoindole-1,3-dione
SMILESCC1C=CC2=C(C(=O)N(C3CCC(=O)NC3=O)C2=O)C1C
InChIInChI=1S/C15H16N2O4/c1-7-3-4-9-12(8(7)2)15(21)17(14(9)20)10-5-6-11(18)16-13(10)19/h3-4,7-8,10H,5-6H2,1-2H3,(H,16,18,19)
InChIKeyKIHJLTSNGUZQEK-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.30
Rot. Bonds1

About 2-(2,6-dioxopiperidin-3-yl)-4,5-dimethyl-4,5-dihydroisoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4,5-dimethyl-4,5-dihydroisoindole-1,3-dione (PubChem CID 71021937) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4,5-dimethyl-4,5-dihydroisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4,5-dimethyl-4,5-dihydroisoindole-1,3-dione
PubChem CID71021937
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4,5-dimethyl-4,5-dihydroisoindole-1,3-dione
SMILESCC1C=CC2=C(C(=O)N(C3CCC(=O)NC3=O)C2=O)C1C
InChIInChI=1S/C15H16N2O4/c1-7-3-4-9-12(8(7)2)15(21)17(14(9)20)10-5-6-11(18)16-13(10)19/h3-4,7-8,10H,5-6H2,1-2H3,(H,16,18,19)
InChIKeyKIHJLTSNGUZQEK-UHFFFAOYSA-N
XLogP0.30
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4,5-dimethyl-4,5-dihydroisoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4,5-dimethyl-4,5-dihydroisoindole-1,3-dione (CID 71021937) is 2-(2,6-dioxopiperidin-3-yl)-4,5-dimethyl-4,5-dihydroisoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4,5-dimethyl-4,5-dihydroisoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4,5-dimethyl-4,5-dihydroisoindole-1,3-dione is CC1C=CC2=C(C(=O)N(C3CCC(=O)NC3=O)C2=O)C1C.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4,5-dimethyl-4,5-dihydroisoindole-1,3-dione?
The InChIKey is KIHJLTSNGUZQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-7-3-4-9-12(8(7)2)15(21)17(14(9)20)10-5-6-11(18)16-13(10)19/h3-4,7-8,10H,5-6H2,1-2H3,(H,16,18,19).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4,5-dimethyl-4,5-dihydroisoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4,5-dimethyl-4,5-dihydroisoindole-1,3-dione has a molecular weight of 288.30 g/mol, XLogP of 0.30, 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)-4,5-dimethyl-4,5-dihydroisoindole-1,3-dione is sourced from PubChem (CID 71021937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).