5-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)indene-1,3-dione

C15H12FNO3 — CID 170275297

IUPAC5-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)indene-1,3-dione
SMILESC=C1CCC(C2C(=O)c3ccc(F)cc3C2=O)C(=O)N1
InChIInChI=1S/C15H12FNO3/c1-7-2-4-10(15(20)17-7)12-13(18)9-5-3-8(16)6-11(9)14(12)19/h3,5-6,10,12H,1-2,4H2,(H,17,20)
InChIKeyOMVSPYRLCNGHRL-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.86
Rot. Bonds1

About 5-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)indene-1,3-dione

5-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)indene-1,3-dione (PubChem CID 170275297) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is 5-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)indene-1,3-dione.

Molecular Properties

Compound Name5-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)indene-1,3-dione
PubChem CID170275297
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Name5-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)indene-1,3-dione
SMILESC=C1CCC(C2C(=O)c3ccc(F)cc3C2=O)C(=O)N1
InChIInChI=1S/C15H12FNO3/c1-7-2-4-10(15(20)17-7)12-13(18)9-5-3-8(16)6-11(9)14(12)19/h3,5-6,10,12H,1-2,4H2,(H,17,20)
InChIKeyOMVSPYRLCNGHRL-UHFFFAOYSA-N
XLogP1.86
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-ylphenalene-1,3-dione
CID 167644004
3-(7-tert-butyl-3-oxo-1,2-dihydroinden-2-yl)-6-methylidenepiperidin-2-one
CID 164983292
2-(2,6-dimethylidenepiperidin-3-yl)-5-fluoro-1,3-dimethylideneisoindole
CID 170056011
5-fluoro-2-phenylindene-1,3-dione
CID 3043662
6-fluoro-2-(4-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 19861924
5-hydroxy-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 142596962
5-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 118527125
benzene;5-fluoroisoindole-1,3-dione
CID 174849792
5-fluoro-2-hydroxy-1,2-dihydroindol-3-one
CID 129015122
6-fluoro-2-methylidene-1H-indol-3-one
CID 129077498
5-[4-[5-[4-[(1S,2R)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 159260005
6-fluoro-3a,11b-dihydrophenanthro[9,10-c]pyrrole-1,3-dione
CID 14612226

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)indene-1,3-dione?
The IUPAC name of 5-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)indene-1,3-dione (CID 170275297) is 5-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)indene-1,3-dione.
What is the SMILES notation for 5-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)indene-1,3-dione?
The canonical SMILES for 5-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)indene-1,3-dione is C=C1CCC(C2C(=O)c3ccc(F)cc3C2=O)C(=O)N1.
What is the InChIKey of 5-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)indene-1,3-dione?
The InChIKey is OMVSPYRLCNGHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c1-7-2-4-10(15(20)17-7)12-13(18)9-5-3-8(16)6-11(9)14(12)19/h3,5-6,10,12H,1-2,4H2,(H,17,20).
What are the key properties of 5-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)indene-1,3-dione?
5-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)indene-1,3-dione has a molecular weight of 273.26 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)indene-1,3-dione is sourced from PubChem (CID 170275297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).