2-(2,6-dioxopiperidin-3-yl)-7-fluoro-5,5-dimethylcyclohepta[c]pyrrole-1,3-dione

C16H15FN2O4 — CID 155357553

IUPAC2-(2,6-dioxopiperidin-3-yl)-7-fluoro-5,5-dimethylcyclohepta[c]pyrrole-1,3-dione
SMILESCC1(C)C=C(F)C=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1
InChIInChI=1S/C16H15FN2O4/c1-16(2)6-8(17)5-9-10(7-16)15(23)19(14(9)22)11-3-4-12(20)18-13(11)21/h5-7,11H,3-4H2,1-2H3,(H,18,20,21)
InChIKeyCWQIHIQNGZIHOP-UHFFFAOYSA-N
MW318.30 g/mol
LogP0.91
Rot. Bonds1

About 2-(2,6-dioxopiperidin-3-yl)-7-fluoro-5,5-dimethylcyclohepta[c]pyrrole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-7-fluoro-5,5-dimethylcyclohepta[c]pyrrole-1,3-dione (PubChem CID 155357553) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-7-fluoro-5,5-dimethylcyclohepta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-7-fluoro-5,5-dimethylcyclohepta[c]pyrrole-1,3-dione
PubChem CID155357553
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-7-fluoro-5,5-dimethylcyclohepta[c]pyrrole-1,3-dione
SMILESCC1(C)C=C(F)C=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1
InChIInChI=1S/C16H15FN2O4/c1-16(2)6-8(17)5-9-10(7-16)15(23)19(14(9)22)11-3-4-12(20)18-13(11)21/h5-7,11H,3-4H2,1-2H3,(H,18,20,21)
InChIKeyCWQIHIQNGZIHOP-UHFFFAOYSA-N
XLogP0.91
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 50.91
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)-7-fluoro-5,5-dimethylcyclohepta[c]pyrrole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-7-fluoro-5,5-dimethylcyclohepta[c]pyrrole-1,3-dione (CID 155357553) is 2-(2,6-dioxopiperidin-3-yl)-7-fluoro-5,5-dimethylcyclohepta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-7-fluoro-5,5-dimethylcyclohepta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-7-fluoro-5,5-dimethylcyclohepta[c]pyrrole-1,3-dione is CC1(C)C=C(F)C=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-7-fluoro-5,5-dimethylcyclohepta[c]pyrrole-1,3-dione?
The InChIKey is CWQIHIQNGZIHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4/c1-16(2)6-8(17)5-9-10(7-16)15(23)19(14(9)22)11-3-4-12(20)18-13(11)21/h5-7,11H,3-4H2,1-2H3,(H,18,20,21).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-7-fluoro-5,5-dimethylcyclohepta[c]pyrrole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-7-fluoro-5,5-dimethylcyclohepta[c]pyrrole-1,3-dione has a molecular weight of 318.30 g/mol, XLogP of 0.91, 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)-7-fluoro-5,5-dimethylcyclohepta[c]pyrrole-1,3-dione is sourced from PubChem (CID 155357553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).