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

C18H15FN2O2 — CID 95103577

IUPAC(3S)-1'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C(c1ccc(F)cc1)N1CC[C@]2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C18H15FN2O2/c19-13-7-5-12(6-8-13)16(22)21-10-9-18(11-21)14-3-1-2-4-15(14)20-17(18)23/h1-8H,9-11H2,(H,20,23)/t18-/m1/s1
InChIKeyYPHVPHAUWHINHP-GOSISDBHSA-N
MW310.33 g/mol
LogP2.56
Rot. Bonds1

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

(3S)-1'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 95103577) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is (3S)-1'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(3S)-1'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID95103577
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name(3S)-1'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C(c1ccc(F)cc1)N1CC[C@]2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C18H15FN2O2/c19-13-7-5-12(6-8-13)16(22)21-10-9-18(11-21)14-3-1-2-4-15(14)20-17(18)23/h1-8H,9-11H2,(H,20,23)/t18-/m1/s1
InChIKeyYPHVPHAUWHINHP-GOSISDBHSA-N
XLogP2.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1'-(4-chlorobenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 56892371
2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 154879377
1'-(3-chlorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176932
(3R)-1'-(2,2,2-trifluoroacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 125183618
1'-(2-methoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176926
(3S)-1'-(4-fluorobenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95103940
(3R)-1'-(4-methylsulfonylbenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 95716797
1'-[2-(4-fluorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 59862924
1'-(2-chloro-4-fluorobenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 56904113
1'-(4-methylnaphthalene-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 155956164
1'-(pyridine-3-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 97375619
benzyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 102192246

Frequently Asked Questions

What is the IUPAC name of (3S)-1'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (3S)-1'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 95103577) is (3S)-1'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (3S)-1'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (3S)-1'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is O=C(c1ccc(F)cc1)N1CC[C@]2(C1)C(=O)Nc1ccccc12.
What is the InChIKey of (3S)-1'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is YPHVPHAUWHINHP-GOSISDBHSA-N. The full InChI is InChI=1S/C18H15FN2O2/c19-13-7-5-12(6-8-13)16(22)21-10-9-18(11-21)14-3-1-2-4-15(14)20-17(18)23/h1-8H,9-11H2,(H,20,23)/t18-/m1/s1.
What are the key properties of (3S)-1'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
(3S)-1'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 310.33 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 95103577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).