1-(cyclopropylmethyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid

C23H25F3N2O3S — CID 118743274

IUPAC1-(cyclopropylmethyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid
SMILESCc1ccc(CN2CCC3(C2)C(=O)N(CC2CC2)c2ccccc23)s1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H24N2OS.C2HF3O2/c1-15-6-9-17(25-15)13-22-11-10-21(14-22)18-4-2-3-5-19(18)23(20(21)24)12-16-7-8-16;3-2(4,5)1(6)7/h2-6,9,16H,7-8,10-14H2,1H3;(H,6,7)
InChIKeyTYTVSALAQVMPHO-UHFFFAOYSA-N
MW466.53 g/mol
LogP4.59
Rot. Bonds4

About 1-(cyclopropylmethyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid

1-(cyclopropylmethyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid (PubChem CID 118743274) has the molecular formula C23H25F3N2O3S and a molecular weight of 466.53 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid
PubChem CID118743274
Molecular FormulaC23H25F3N2O3S
Molecular Weight466.53 g/mol
Exact Mass466.15
IUPAC Name1-(cyclopropylmethyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid
SMILESCc1ccc(CN2CCC3(C2)C(=O)N(CC2CC2)c2ccccc23)s1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H24N2OS.C2HF3O2/c1-15-6-9-17(25-15)13-22-11-10-21(14-22)18-4-2-3-5-19(18)23(20(21)24)12-16-7-8-16;3-2(4,5)1(6)7/h2-6,9,16H,7-8,10-14H2,1H3;(H,6,7)
InChIKeyTYTVSALAQVMPHO-UHFFFAOYSA-N
XLogP4.59
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1'-[(5-methyl-2-thienyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidin]-1(2H)-yl]acetamide
CID 56892949
1-Methyl-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one
CID 97375629
1-(2-Methylpropyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 118739701
1-(Cyclopropylmethyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 118743275
1-(2-Methylpropyl)-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 118743277
1-(2-Methylpropyl)-1'-(thiophen-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 118743279
1-Methyl-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 134791822
1,3-Dimethyl-3-(5-methylthiophen-2-yl)indol-2-one
CID 139255176
Tert-butyl 2-oxo-3-(thiophen-2-ylmethyl)-3-(trifluoromethyl)indole-1-carboxylate
CID 134962122
1-Phenyl-1'-(thiophen-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 134788387
CID 134791551
CID 134791551
1-Methyl-3-(5-methylthiophen-2-yl)-3-phenylindol-2-one
CID 101572045

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(cyclopropylmethyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid (CID 118743274) is 1-(cyclopropylmethyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid is Cc1ccc(CN2CCC3(C2)C(=O)N(CC2CC2)c2ccccc23)s1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(cyclopropylmethyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is TYTVSALAQVMPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2OS.C2HF3O2/c1-15-6-9-17(25-15)13-22-11-10-21(14-22)18-4-2-3-5-19(18)23(20(21)24)12-16-7-8-16;3-2(4,5)1(6)7/h2-6,9,16H,7-8,10-14H2,1H3;(H,6,7).
What are the key properties of 1-(cyclopropylmethyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid?
1-(cyclopropylmethyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 466.53 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).