1-(4-fluorophenyl)-4-(1-hydroxy-5-methylspiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)butan-1-one

C23H26FNO2 — CID 54151982

IUPAC1-(4-fluorophenyl)-4-(1-hydroxy-5-methylspiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)butan-1-one
SMILESCc1ccc2c(c1)C1(CCN(CCCC(=O)c3ccc(F)cc3)C1)CC2O
InChIInChI=1S/C23H26FNO2/c1-16-4-9-19-20(13-16)23(14-22(19)27)10-12-25(15-23)11-2-3-21(26)17-5-7-18(24)8-6-17/h4-9,13,22,27H,2-3,10-12,14-15H2,1H3
InChIKeyOIJPBQLKKPZXIM-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.18
Rot. Bonds5

About 1-(4-fluorophenyl)-4-(1-hydroxy-5-methylspiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)butan-1-one

1-(4-fluorophenyl)-4-(1-hydroxy-5-methylspiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)butan-1-one (PubChem CID 54151982) has the molecular formula C23H26FNO2 and a molecular weight of 367.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(1-hydroxy-5-methylspiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(1-hydroxy-5-methylspiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)butan-1-one
PubChem CID54151982
Molecular FormulaC23H26FNO2
Molecular Weight367.46 g/mol
Exact Mass367.19
IUPAC Name1-(4-fluorophenyl)-4-(1-hydroxy-5-methylspiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)butan-1-one
SMILESCc1ccc2c(c1)C1(CCN(CCCC(=O)c3ccc(F)cc3)C1)CC2O
InChIInChI=1S/C23H26FNO2/c1-16-4-9-19-20(13-16)23(14-22(19)27)10-12-25(15-23)11-2-3-21(26)17-5-7-18(24)8-6-17/h4-9,13,22,27H,2-3,10-12,14-15H2,1H3
InChIKeyOIJPBQLKKPZXIM-UHFFFAOYSA-N
XLogP4.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(1-hydroxy-5-methylspiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)butan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-4-(1-hydroxy-5-methylspiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)butan-1-one (CID 54151982) is 1-(4-fluorophenyl)-4-(1-hydroxy-5-methylspiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)butan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(1-hydroxy-5-methylspiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)butan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-(1-hydroxy-5-methylspiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)butan-1-one is Cc1ccc2c(c1)C1(CCN(CCCC(=O)c3ccc(F)cc3)C1)CC2O.
What is the InChIKey of 1-(4-fluorophenyl)-4-(1-hydroxy-5-methylspiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)butan-1-one?
The InChIKey is OIJPBQLKKPZXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO2/c1-16-4-9-19-20(13-16)23(14-22(19)27)10-12-25(15-23)11-2-3-21(26)17-5-7-18(24)8-6-17/h4-9,13,22,27H,2-3,10-12,14-15H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-(1-hydroxy-5-methylspiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)butan-1-one?
1-(4-fluorophenyl)-4-(1-hydroxy-5-methylspiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)butan-1-one has a molecular weight of 367.46 g/mol, XLogP of 4.18, 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-hydroxy-5-methylspiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)butan-1-one is sourced from PubChem (CID 54151982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).