1'-[2-(3-fluorophenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one

C20H19FN2O2 — CID 53177162

IUPAC1'-[2-(3-fluorophenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCN1C(=O)C2(CCN(C(=O)Cc3cccc(F)c3)C2)c2ccccc21
InChIInChI=1S/C20H19FN2O2/c1-22-17-8-3-2-7-16(17)20(19(22)25)9-10-23(13-20)18(24)12-14-5-4-6-15(21)11-14/h2-8,11H,9-10,12-13H2,1H3
InChIKeyLDJYQGOQMSUOEO-UHFFFAOYSA-N
MW338.38 g/mol
LogP2.51
Rot. Bonds2

About 1'-[2-(3-fluorophenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one

1'-[2-(3-fluorophenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 53177162) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 1'-[2-(3-fluorophenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-[2-(3-fluorophenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID53177162
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name1'-[2-(3-fluorophenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCN1C(=O)C2(CCN(C(=O)Cc3cccc(F)c3)C2)c2ccccc21
InChIInChI=1S/C20H19FN2O2/c1-22-17-8-3-2-7-16(17)20(19(22)25)9-10-23(13-20)18(24)12-14-5-4-6-15(21)11-14/h2-8,11H,9-10,12-13H2,1H3
InChIKeyLDJYQGOQMSUOEO-UHFFFAOYSA-N
XLogP2.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-[2-(3-fluorophenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-[2-(3-fluorophenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one (CID 53177162) is 1'-[2-(3-fluorophenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-[2-(3-fluorophenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-[2-(3-fluorophenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one is CN1C(=O)C2(CCN(C(=O)Cc3cccc(F)c3)C2)c2ccccc21.
What is the InChIKey of 1'-[2-(3-fluorophenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is LDJYQGOQMSUOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-22-17-8-3-2-7-16(17)20(19(22)25)9-10-23(13-20)18(24)12-14-5-4-6-15(21)11-14/h2-8,11H,9-10,12-13H2,1H3.
What are the key properties of 1'-[2-(3-fluorophenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
1'-[2-(3-fluorophenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 338.38 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(3-fluorophenyl)acetyl]-1-methylspiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 53177162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).