2-(2,6-dioxopiperidin-3-yl)-6,6a-dihydro-5aH-cyclopropa[e]isoindole-1,3-dione;ethane;molecular hydrogen

C16H20N2O4 — CID 172587369

About 2-(2,6-dioxopiperidin-3-yl)-6,6a-dihydro-5aH-cyclopropa[e]isoindole-1,3-dione;ethane;molecular hydrogen

2-(2,6-dioxopiperidin-3-yl)-6,6a-dihydro-5aH-cyclopropa[e]isoindole-1,3-dione;ethane;molecular hydrogen (PubChem CID 172587369) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-6,6a-dihydro-5aH-cyclopropa[e]isoindole-1,3-dione;ethane;molecular hydrogen.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-6,6a-dihydro-5aH-cyclopropa[e]isoindole-1,3-dione;ethane;molecular hydrogen
• PubChem CID: 172587369
• Molecular Formula: C16H20N2O4
• Molecular Weight: 304.35 g/mol
• Exact Mass: 304.14
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-6,6a-dihydro-5aH-cyclopropa[e]isoindole-1,3-dione;ethane;molecular hydrogen
• SMILES: CC.O=C1CCC(N2C(=O)C3=C(C2=O)C2CC2C=C3)C(=O)N1.[H][H]
• InChI: InChI=1S/C14H12N2O4.C2H6.H2/c17-10-4-3-9(12(18)15-10)16-13(19)7-2-1-6-5-8(6)11(7)14(16)20;1-2;/h1-2,6,8-9H,3-5H2,(H,15,17,18);1-2H3;1H
• InChIKey: WIQFYJUZQANADK-UHFFFAOYSA-N
• XLogP: 0.94
• TPSA: 83.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.35
LogP ≤ 5	0.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-6,6a-dihydro-5aH-cyclopropa[e]isoindole-1,3-dione;ethane;molecular hydrogen?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-6,6a-dihydro-5aH-cyclopropa[e]isoindole-1,3-dione;ethane;molecular hydrogen (CID 172587369) is 2-(2,6-dioxopiperidin-3-yl)-6,6a-dihydro-5aH-cyclopropa[e]isoindole-1,3-dione;ethane;molecular hydrogen.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-6,6a-dihydro-5aH-cyclopropa[e]isoindole-1,3-dione;ethane;molecular hydrogen?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-6,6a-dihydro-5aH-cyclopropa[e]isoindole-1,3-dione;ethane;molecular hydrogen is CC.O=C1CCC(N2C(=O)C3=C(C2=O)C2CC2C=C3)C(=O)N1.[H][H].

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-6,6a-dihydro-5aH-cyclopropa[e]isoindole-1,3-dione;ethane;molecular hydrogen?

The InChIKey is WIQFYJUZQANADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4.C2H6.H2/c17-10-4-3-9(12(18)15-10)16-13(19)7-2-1-6-5-8(6)11(7)14(16)20;1-2;/h1-2,6,8-9H,3-5H2,(H,15,17,18);1-2H3;1H.

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-6,6a-dihydro-5aH-cyclopropa[e]isoindole-1,3-dione;ethane;molecular hydrogen?

2-(2,6-dioxopiperidin-3-yl)-6,6a-dihydro-5aH-cyclopropa[e]isoindole-1,3-dione;ethane;molecular hydrogen has a molecular weight of 304.35 g/mol, XLogP of 0.94, 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)-6,6a-dihydro-5aH-cyclopropa[e]isoindole-1,3-dione;ethane;molecular hydrogen is sourced from PubChem (CID 172587369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).