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

C19H17FN2O2 — CID 95103940

IUPAC(3S)-1'-(4-fluorobenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCN1C(=O)[C@@]2(CCN(C(=O)c3ccc(F)cc3)C2)c2ccccc21
InChIInChI=1S/C19H17FN2O2/c1-21-16-5-3-2-4-15(16)19(18(21)24)10-11-22(12-19)17(23)13-6-8-14(20)9-7-13/h2-9H,10-12H2,1H3/t19-/m1/s1
InChIKeyJLOFJMCDVVRFIN-LJQANCHMSA-N
MW324.36 g/mol
LogP2.59
Rot. Bonds1

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

(3S)-1'-(4-fluorobenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 95103940) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is (3S)-1'-(4-fluorobenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(3S)-1'-(4-fluorobenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID95103940
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name(3S)-1'-(4-fluorobenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCN1C(=O)[C@@]2(CCN(C(=O)c3ccc(F)cc3)C2)c2ccccc21
InChIInChI=1S/C19H17FN2O2/c1-21-16-5-3-2-4-15(16)19(18(21)24)10-11-22(12-19)17(23)13-6-8-14(20)9-7-13/h2-9H,10-12H2,1H3/t19-/m1/s1
InChIKeyJLOFJMCDVVRFIN-LJQANCHMSA-N
XLogP2.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-methyl-1'-(4-methylbenzoyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 95103905
(3R)-1'-(4-fluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104137
(3S)-1'-(3,4-dimethoxybenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95103926
(3S)-1'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103577
N-ethyl-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177203
(3S)-N-ethyl-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95104040
1'-butanoyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177130
1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide
CID 57097431
1-methyl-1'-(pyridine-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one;2,2,2-trifluoroacetic acid
CID 155825279
1'-(cyclopentanecarbonyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177159
1'-(3,3-dimethylbutanoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177144
1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97452604

Frequently Asked Questions

What is the IUPAC name of (3S)-1'-(4-fluorobenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (3S)-1'-(4-fluorobenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one (CID 95103940) is (3S)-1'-(4-fluorobenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (3S)-1'-(4-fluorobenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (3S)-1'-(4-fluorobenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one is CN1C(=O)[C@@]2(CCN(C(=O)c3ccc(F)cc3)C2)c2ccccc21.
What is the InChIKey of (3S)-1'-(4-fluorobenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is JLOFJMCDVVRFIN-LJQANCHMSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-21-16-5-3-2-4-15(16)19(18(21)24)10-11-22(12-19)17(23)13-6-8-14(20)9-7-13/h2-9H,10-12H2,1H3/t19-/m1/s1.
What are the key properties of (3S)-1'-(4-fluorobenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
(3S)-1'-(4-fluorobenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 324.36 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1'-(4-fluorobenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 95103940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).