ethyl 2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetate

C17H19F3N2O3 — CID 83290555

IUPACethyl 2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)C2(CCN(CC(F)(F)F)C2)c2ccccc21
InChIInChI=1S/C17H19F3N2O3/c1-2-25-14(23)9-22-13-6-4-3-5-12(13)16(15(22)24)7-8-21(10-16)11-17(18,19)20/h3-6H,2,7-11H2,1H3
InChIKeyIPBLJGNZWVAFDT-UHFFFAOYSA-N
MW356.34 g/mol
LogP2.10
Rot. Bonds4

About ethyl 2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetate

ethyl 2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetate (PubChem CID 83290555) has the molecular formula C17H19F3N2O3 and a molecular weight of 356.34 g/mol. Its IUPAC name is ethyl 2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetate
PubChem CID83290555
Molecular FormulaC17H19F3N2O3
Molecular Weight356.34 g/mol
Exact Mass356.13
IUPAC Nameethyl 2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)C2(CCN(CC(F)(F)F)C2)c2ccccc21
InChIInChI=1S/C17H19F3N2O3/c1-2-25-14(23)9-22-13-6-4-3-5-12(13)16(15(22)24)7-8-21(10-16)11-17(18,19)20/h3-6H,2,7-11H2,1H3
InChIKeyIPBLJGNZWVAFDT-UHFFFAOYSA-N
XLogP2.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetate?
The IUPAC name of ethyl 2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetate (CID 83290555) is ethyl 2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetate.
What is the SMILES notation for ethyl 2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetate?
The canonical SMILES for ethyl 2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetate is CCOC(=O)CN1C(=O)C2(CCN(CC(F)(F)F)C2)c2ccccc21.
What is the InChIKey of ethyl 2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetate?
The InChIKey is IPBLJGNZWVAFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O3/c1-2-25-14(23)9-22-13-6-4-3-5-12(13)16(15(22)24)7-8-21(10-16)11-17(18,19)20/h3-6H,2,7-11H2,1H3.
What are the key properties of ethyl 2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetate?
ethyl 2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetate has a molecular weight of 356.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetate is sourced from PubChem (CID 83290555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).