2-(2,6-dioxopiperidin-3-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

C12H14N2O4 — CID 103979919

IUPAC2-(2,6-dioxopiperidin-3-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESO=C1CCC(N2C(=O)C3CCCC3C2=O)C(=O)N1
InChIInChI=1S/C12H14N2O4/c15-9-5-4-8(10(16)13-9)14-11(17)6-2-1-3-7(6)12(14)18/h6-8H,1-5H2,(H,13,15,16)
InChIKeyXQADIAPCRULXQI-UHFFFAOYSA-N
MW250.25 g/mol
LogP-0.42
Rot. Bonds1

About 2-(2,6-dioxopiperidin-3-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 103979919) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID103979919
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESO=C1CCC(N2C(=O)C3CCCC3C2=O)C(=O)N1
InChIInChI=1S/C12H14N2O4/c15-9-5-4-8(10(16)13-9)14-11(17)6-2-1-3-7(6)12(14)18/h6-8H,1-5H2,(H,13,15,16)
InChIKeyXQADIAPCRULXQI-UHFFFAOYSA-N
XLogP-0.42
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 5-0.42
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)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 103979919) is 2-(2,6-dioxopiperidin-3-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is O=C1CCC(N2C(=O)C3CCCC3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is XQADIAPCRULXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-9-5-4-8(10(16)13-9)14-11(17)6-2-1-3-7(6)12(14)18/h6-8H,1-5H2,(H,13,15,16).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 250.25 g/mol, XLogP of -0.42, 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)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 103979919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).