2-(2,6-dioxopiperidin-3-yl)-5-fluoro-8H-cyclohepta[c]pyrrole-1,3-dione

C14H11FN2O4 — CID 134581938

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-fluoro-8H-cyclohepta[c]pyrrole-1,3-dione
SMILESO=C1CCC(N2C(=O)C3=C(CC=CC(F)=C3)C2=O)C(=O)N1
InChIInChI=1S/C14H11FN2O4/c15-7-2-1-3-8-9(6-7)14(21)17(13(8)20)10-4-5-11(18)16-12(10)19/h1-2,6,10H,3-5H2,(H,16,18,19)
InChIKeyNXWZNYLTQKQFBD-UHFFFAOYSA-N
MW290.25 g/mol
LogP0.27
Rot. Bonds1

About 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-8H-cyclohepta[c]pyrrole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-fluoro-8H-cyclohepta[c]pyrrole-1,3-dione (PubChem CID 134581938) has the molecular formula C14H11FN2O4 and a molecular weight of 290.25 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-8H-cyclohepta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-fluoro-8H-cyclohepta[c]pyrrole-1,3-dione
PubChem CID134581938
Molecular FormulaC14H11FN2O4
Molecular Weight290.25 g/mol
Exact Mass290.07
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-fluoro-8H-cyclohepta[c]pyrrole-1,3-dione
SMILESO=C1CCC(N2C(=O)C3=C(CC=CC(F)=C3)C2=O)C(=O)N1
InChIInChI=1S/C14H11FN2O4/c15-7-2-1-3-8-9(6-7)14(21)17(13(8)20)10-4-5-11(18)16-12(10)19/h1-2,6,10H,3-5H2,(H,16,18,19)
InChIKeyNXWZNYLTQKQFBD-UHFFFAOYSA-N
XLogP0.27
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 50.27
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)-5-fluoro-8H-cyclohepta[c]pyrrole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-8H-cyclohepta[c]pyrrole-1,3-dione (CID 134581938) is 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-8H-cyclohepta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-8H-cyclohepta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-8H-cyclohepta[c]pyrrole-1,3-dione is O=C1CCC(N2C(=O)C3=C(CC=CC(F)=C3)C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-8H-cyclohepta[c]pyrrole-1,3-dione?
The InChIKey is NXWZNYLTQKQFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4/c15-7-2-1-3-8-9(6-7)14(21)17(13(8)20)10-4-5-11(18)16-12(10)19/h1-2,6,10H,3-5H2,(H,16,18,19).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-8H-cyclohepta[c]pyrrole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-8H-cyclohepta[c]pyrrole-1,3-dione has a molecular weight of 290.25 g/mol, XLogP of 0.27, 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)-5-fluoro-8H-cyclohepta[c]pyrrole-1,3-dione is sourced from PubChem (CID 134581938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).