(2'R,3S)-2'-(4-oxopentyl)-1'-(2,2,2-trifluoroacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C18H19F3N2O3 — CID 102069093

IUPAC(2'R,3S)-2'-(4-oxopentyl)-1'-(2,2,2-trifluoroacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCC(=O)CCC[C@H]1N(C(=O)C(F)(F)F)CC[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C18H19F3N2O3/c1-11(24)5-4-8-14-17(9-10-23(14)16(26)18(19,20)21)12-6-2-3-7-13(12)22-15(17)25/h2-3,6-7,14H,4-5,8-10H2,1H3,(H,22,25)/t14-,17+/m1/s1
InChIKeyOKHHDPPCBKPHCO-PBHICJAKSA-N
MW368.36 g/mol
LogP2.80
Rot. Bonds4

About (2'R,3S)-2'-(4-oxopentyl)-1'-(2,2,2-trifluoroacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'R,3S)-2'-(4-oxopentyl)-1'-(2,2,2-trifluoroacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 102069093) has the molecular formula C18H19F3N2O3 and a molecular weight of 368.36 g/mol. Its IUPAC name is (2'R,3S)-2'-(4-oxopentyl)-1'-(2,2,2-trifluoroacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'R,3S)-2'-(4-oxopentyl)-1'-(2,2,2-trifluoroacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID102069093
Molecular FormulaC18H19F3N2O3
Molecular Weight368.36 g/mol
Exact Mass368.13
IUPAC Name(2'R,3S)-2'-(4-oxopentyl)-1'-(2,2,2-trifluoroacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCC(=O)CCC[C@H]1N(C(=O)C(F)(F)F)CC[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C18H19F3N2O3/c1-11(24)5-4-8-14-17(9-10-23(14)16(26)18(19,20)21)12-6-2-3-7-13(12)22-15(17)25/h2-3,6-7,14H,4-5,8-10H2,1H3,(H,22,25)/t14-,17+/m1/s1
InChIKeyOKHHDPPCBKPHCO-PBHICJAKSA-N
XLogP2.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2'R,3S)-2'-(4-oxopentyl)-1'-(2,2,2-trifluoroacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-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 (2'R,3S)-2'-(4-oxopentyl)-1'-(2,2,2-trifluoroacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'R,3S)-2'-(4-oxopentyl)-1'-(2,2,2-trifluoroacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 102069093) is (2'R,3S)-2'-(4-oxopentyl)-1'-(2,2,2-trifluoroacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'R,3S)-2'-(4-oxopentyl)-1'-(2,2,2-trifluoroacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'R,3S)-2'-(4-oxopentyl)-1'-(2,2,2-trifluoroacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is CC(=O)CCC[C@H]1N(C(=O)C(F)(F)F)CC[C@@]12C(=O)Nc1ccccc12.
What is the InChIKey of (2'R,3S)-2'-(4-oxopentyl)-1'-(2,2,2-trifluoroacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is OKHHDPPCBKPHCO-PBHICJAKSA-N. The full InChI is InChI=1S/C18H19F3N2O3/c1-11(24)5-4-8-14-17(9-10-23(14)16(26)18(19,20)21)12-6-2-3-7-13(12)22-15(17)25/h2-3,6-7,14H,4-5,8-10H2,1H3,(H,22,25)/t14-,17+/m1/s1.
What are the key properties of (2'R,3S)-2'-(4-oxopentyl)-1'-(2,2,2-trifluoroacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'R,3S)-2'-(4-oxopentyl)-1'-(2,2,2-trifluoroacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 368.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3S)-2'-(4-oxopentyl)-1'-(2,2,2-trifluoroacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 102069093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).