3-fluoro-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione

C11H9FN2O3S — CID 66751551

IUPAC3-fluoro-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione
SMILESO=C1CCC(F)(N2Cc3cscc3C2=O)C(=O)N1
InChIInChI=1S/C11H9FN2O3S/c12-11(2-1-8(15)13-10(11)17)14-3-6-4-18-5-7(6)9(14)16/h4-5H,1-3H2,(H,13,15,17)
InChIKeyYUINGNRLOKHMHD-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.81
Rot. Bonds1

About 3-fluoro-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione

3-fluoro-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione (PubChem CID 66751551) has the molecular formula C11H9FN2O3S and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-fluoro-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-fluoro-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione
PubChem CID66751551
Molecular FormulaC11H9FN2O3S
Molecular Weight268.27 g/mol
Exact Mass268.03
IUPAC Name3-fluoro-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione
SMILESO=C1CCC(F)(N2Cc3cscc3C2=O)C(=O)N1
InChIInChI=1S/C11H9FN2O3S/c12-11(2-1-8(15)13-10(11)17)14-3-6-4-18-5-7(6)9(14)16/h4-5H,1-3H2,(H,13,15,17)
InChIKeyYUINGNRLOKHMHD-UHFFFAOYSA-N
XLogP0.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione?
The IUPAC name of 3-fluoro-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione (CID 66751551) is 3-fluoro-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-fluoro-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione?
The canonical SMILES for 3-fluoro-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione is O=C1CCC(F)(N2Cc3cscc3C2=O)C(=O)N1.
What is the InChIKey of 3-fluoro-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione?
The InChIKey is YUINGNRLOKHMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3S/c12-11(2-1-8(15)13-10(11)17)14-3-6-4-18-5-7(6)9(14)16/h4-5H,1-3H2,(H,13,15,17).
What are the key properties of 3-fluoro-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione?
3-fluoro-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione has a molecular weight of 268.27 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)piperidine-2,6-dione is sourced from PubChem (CID 66751551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).