7-fluoro-5'-phenylspiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one

C18H16FNO — CID 83057978

IUPAC7-fluoro-5'-phenylspiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one
SMILESO=C1CC2(CCc3c(F)cccc32)C(c2ccccc2)N1
InChIInChI=1S/C18H16FNO/c19-15-8-4-7-14-13(15)9-10-18(14)11-16(21)20-17(18)12-5-2-1-3-6-12/h1-8,17H,9-11H2,(H,20,21)
InChIKeyYJJVHAKTVAHYKN-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.27
Rot. Bonds1

About 7-fluoro-5'-phenylspiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one

7-fluoro-5'-phenylspiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one (PubChem CID 83057978) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is 7-fluoro-5'-phenylspiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one.

Molecular Properties

Compound Name7-fluoro-5'-phenylspiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one
PubChem CID83057978
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name7-fluoro-5'-phenylspiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one
SMILESO=C1CC2(CCc3c(F)cccc32)C(c2ccccc2)N1
InChIInChI=1S/C18H16FNO/c19-15-8-4-7-14-13(15)9-10-18(14)11-16(21)20-17(18)12-5-2-1-3-6-12/h1-8,17H,9-11H2,(H,20,21)
InChIKeyYJJVHAKTVAHYKN-UHFFFAOYSA-N
XLogP3.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7-fluoro-5'-phenylspiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5'-phenylspiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one?
The IUPAC name of 7-fluoro-5'-phenylspiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one (CID 83057978) is 7-fluoro-5'-phenylspiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one.
What is the SMILES notation for 7-fluoro-5'-phenylspiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one?
The canonical SMILES for 7-fluoro-5'-phenylspiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one is O=C1CC2(CCc3c(F)cccc32)C(c2ccccc2)N1.
What is the InChIKey of 7-fluoro-5'-phenylspiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one?
The InChIKey is YJJVHAKTVAHYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO/c19-15-8-4-7-14-13(15)9-10-18(14)11-16(21)20-17(18)12-5-2-1-3-6-12/h1-8,17H,9-11H2,(H,20,21).
What are the key properties of 7-fluoro-5'-phenylspiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one?
7-fluoro-5'-phenylspiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one has a molecular weight of 281.33 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5'-phenylspiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one is sourced from PubChem (CID 83057978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).