1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one

C19H17F3N2O — CID 134790833

IUPAC1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C1Nc2ccccc2C12CCN(Cc1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C19H17F3N2O/c20-19(21,22)14-7-5-13(6-8-14)11-24-10-9-18(12-24)15-3-1-2-4-16(15)23-17(18)25/h1-8H,9-12H2,(H,23,25)
InChIKeyQZFGOBGNZGWMFL-UHFFFAOYSA-N
MW346.35 g/mol
LogP3.80
Rot. Bonds2

About 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one

1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 134790833) has the molecular formula C19H17F3N2O and a molecular weight of 346.35 g/mol. Its IUPAC name is 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID134790833
Molecular FormulaC19H17F3N2O
Molecular Weight346.35 g/mol
Exact Mass346.13
IUPAC Name1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C1Nc2ccccc2C12CCN(Cc1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C19H17F3N2O/c20-19(21,22)14-7-5-13(6-8-14)11-24-10-9-18(12-24)15-3-1-2-4-16(15)23-17(18)25/h1-8H,9-12H2,(H,23,25)
InChIKeyQZFGOBGNZGWMFL-UHFFFAOYSA-N
XLogP3.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 134790833) is 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one is O=C1Nc2ccccc2C12CCN(Cc1ccc(C(F)(F)F)cc1)C2.
What is the InChIKey of 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is QZFGOBGNZGWMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O/c20-19(21,22)14-7-5-13(6-8-14)11-24-10-9-18(12-24)15-3-1-2-4-16(15)23-17(18)25/h1-8H,9-12H2,(H,23,25).
What are the key properties of 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 346.35 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 134790833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).