1-(4-fluorophenyl)-4-(1-hydroxyspiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)butan-1-one

C22H24FNO2 — CID 54334119

IUPAC1-(4-fluorophenyl)-4-(1-hydroxyspiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)butan-1-one
SMILESO=C(CCCN1CCC2(CC(O)c3ccccc32)C1)c1ccc(F)cc1
InChIInChI=1S/C22H24FNO2/c23-17-9-7-16(8-10-17)20(25)6-3-12-24-13-11-22(15-24)14-21(26)18-4-1-2-5-19(18)22/h1-2,4-5,7-10,21,26H,3,6,11-15H2
InChIKeyTUGATRAPWYKNCO-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.87
Rot. Bonds5

About 1-(4-fluorophenyl)-4-(1-hydroxyspiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)butan-1-one

1-(4-fluorophenyl)-4-(1-hydroxyspiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)butan-1-one (PubChem CID 54334119) has the molecular formula C22H24FNO2 and a molecular weight of 353.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(1-hydroxyspiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(1-hydroxyspiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)butan-1-one
PubChem CID54334119
Molecular FormulaC22H24FNO2
Molecular Weight353.44 g/mol
Exact Mass353.18
IUPAC Name1-(4-fluorophenyl)-4-(1-hydroxyspiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)butan-1-one
SMILESO=C(CCCN1CCC2(CC(O)c3ccccc32)C1)c1ccc(F)cc1
InChIInChI=1S/C22H24FNO2/c23-17-9-7-16(8-10-17)20(25)6-3-12-24-13-11-22(15-24)14-21(26)18-4-1-2-5-19(18)22/h1-2,4-5,7-10,21,26H,3,6,11-15H2
InChIKeyTUGATRAPWYKNCO-UHFFFAOYSA-N
XLogP3.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-4-(1-hydroxyspiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)butan-1-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 1-(4-fluorophenyl)-4-(1-hydroxyspiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)butan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-4-(1-hydroxyspiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)butan-1-one (CID 54334119) is 1-(4-fluorophenyl)-4-(1-hydroxyspiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)butan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(1-hydroxyspiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)butan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-(1-hydroxyspiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)butan-1-one is O=C(CCCN1CCC2(CC(O)c3ccccc32)C1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(1-hydroxyspiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)butan-1-one?
The InChIKey is TUGATRAPWYKNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO2/c23-17-9-7-16(8-10-17)20(25)6-3-12-24-13-11-22(15-24)14-21(26)18-4-1-2-5-19(18)22/h1-2,4-5,7-10,21,26H,3,6,11-15H2.
What are the key properties of 1-(4-fluorophenyl)-4-(1-hydroxyspiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)butan-1-one?
1-(4-fluorophenyl)-4-(1-hydroxyspiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)butan-1-one has a molecular weight of 353.44 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(1-hydroxyspiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)butan-1-one is sourced from PubChem (CID 54334119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).