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

C13H11F3N2O2 — CID 125183618

IUPAC(3R)-1'-(2,2,2-trifluoroacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C(N1CC[C@@]2(C1)C(=O)Nc1ccccc12)C(F)(F)F
InChIInChI=1S/C13H11F3N2O2/c14-13(15,16)11(20)18-6-5-12(7-18)8-3-1-2-4-9(8)17-10(12)19/h1-4H,5-7H2,(H,17,19)/t12-/m0/s1
InChIKeyKQQSDQSWLFRAHS-LBPRGKRZSA-N
MW284.24 g/mol
LogP1.67
Rot. Bonds

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

(3R)-1'-(2,2,2-trifluoroacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 125183618) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is (3R)-1'-(2,2,2-trifluoroacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(3R)-1'-(2,2,2-trifluoroacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID125183618
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name(3R)-1'-(2,2,2-trifluoroacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C(N1CC[C@@]2(C1)C(=O)Nc1ccccc12)C(F)(F)F
InChIInChI=1S/C13H11F3N2O2/c14-13(15,16)11(20)18-6-5-12(7-18)8-3-1-2-4-9(8)17-10(12)19/h1-4H,5-7H2,(H,17,19)/t12-/m0/s1
InChIKeyKQQSDQSWLFRAHS-LBPRGKRZSA-N
XLogP1.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 154879377
(3S)-1'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103577
benzyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 102192246
N,N-dimethyl-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxamide
CID 97449354
2-oxo-N-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177006
(3S)-2-oxo-N-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 129369255
1'-(2-methoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176926
1'-(3-chlorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176932
1'-(4-methylnaphthalene-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 155956164
9H-fluoren-9-ylmethyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 125183653
1'-(oxetane-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 156901883
1'-(4-chlorobenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 56892371

Frequently Asked Questions

What is the IUPAC name of (3R)-1'-(2,2,2-trifluoroacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (3R)-1'-(2,2,2-trifluoroacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 125183618) is (3R)-1'-(2,2,2-trifluoroacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (3R)-1'-(2,2,2-trifluoroacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (3R)-1'-(2,2,2-trifluoroacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is O=C(N1CC[C@@]2(C1)C(=O)Nc1ccccc12)C(F)(F)F.
What is the InChIKey of (3R)-1'-(2,2,2-trifluoroacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is KQQSDQSWLFRAHS-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c14-13(15,16)11(20)18-6-5-12(7-18)8-3-1-2-4-9(8)17-10(12)19/h1-4H,5-7H2,(H,17,19)/t12-/m0/s1.
What are the key properties of (3R)-1'-(2,2,2-trifluoroacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
(3R)-1'-(2,2,2-trifluoroacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 284.24 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1'-(2,2,2-trifluoroacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 125183618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).