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

C15H13FN2O4 — CID 166685882

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-fluoro-5-methylcyclohepta[c]pyrrole-1,3-dione
SMILESCC1(F)C=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1
InChIInChI=1S/C15H13FN2O4/c1-15(16)6-2-3-8-9(7-15)14(22)18(13(8)21)10-4-5-11(19)17-12(10)20/h2-3,6-7,10H,4-5H2,1H3,(H,17,19,20)
InChIKeyBPPSPDWWAGUVLW-UHFFFAOYSA-N
MW304.28 g/mol
LogP0.31
Rot. Bonds1

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

2-(2,6-dioxopiperidin-3-yl)-5-fluoro-5-methylcyclohepta[c]pyrrole-1,3-dione (PubChem CID 166685882) has the molecular formula C15H13FN2O4 and a molecular weight of 304.28 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-5-methylcyclohepta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-fluoro-5-methylcyclohepta[c]pyrrole-1,3-dione
PubChem CID166685882
Molecular FormulaC15H13FN2O4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-fluoro-5-methylcyclohepta[c]pyrrole-1,3-dione
SMILESCC1(F)C=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1
InChIInChI=1S/C15H13FN2O4/c1-15(16)6-2-3-8-9(7-15)14(22)18(13(8)21)10-4-5-11(19)17-12(10)20/h2-3,6-7,10H,4-5H2,1H3,(H,17,19,20)
InChIKeyBPPSPDWWAGUVLW-UHFFFAOYSA-N
XLogP0.31
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 50.31
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-5-methylcyclohepta[c]pyrrole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-5-methylcyclohepta[c]pyrrole-1,3-dione (CID 166685882) is 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-5-methylcyclohepta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-5-methylcyclohepta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-5-methylcyclohepta[c]pyrrole-1,3-dione is CC1(F)C=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-5-methylcyclohepta[c]pyrrole-1,3-dione?
The InChIKey is BPPSPDWWAGUVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4/c1-15(16)6-2-3-8-9(7-15)14(22)18(13(8)21)10-4-5-11(19)17-12(10)20/h2-3,6-7,10H,4-5H2,1H3,(H,17,19,20).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-5-methylcyclohepta[c]pyrrole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-5-methylcyclohepta[c]pyrrole-1,3-dione has a molecular weight of 304.28 g/mol, XLogP of 0.31, 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-5-methylcyclohepta[c]pyrrole-1,3-dione is sourced from PubChem (CID 166685882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).