1'-[2-(3-fluorophenyl)acetyl]-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one

C20H19FN2O3 — CID 53177055

IUPAC1'-[2-(3-fluorophenyl)acetyl]-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)C1(CCN(C(=O)Cc3cccc(F)c3)C1)C(=O)N2
InChIInChI=1S/C20H19FN2O3/c1-26-15-5-6-17-16(11-15)20(19(25)22-17)7-8-23(12-20)18(24)10-13-3-2-4-14(21)9-13/h2-6,9,11H,7-8,10,12H2,1H3,(H,22,25)
InChIKeyBQOKGKRKNVBHQB-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.50
Rot. Bonds3

About 1'-[2-(3-fluorophenyl)acetyl]-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one

1'-[2-(3-fluorophenyl)acetyl]-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 53177055) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is 1'-[2-(3-fluorophenyl)acetyl]-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-[2-(3-fluorophenyl)acetyl]-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID53177055
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name1'-[2-(3-fluorophenyl)acetyl]-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)C1(CCN(C(=O)Cc3cccc(F)c3)C1)C(=O)N2
InChIInChI=1S/C20H19FN2O3/c1-26-15-5-6-17-16(11-15)20(19(25)22-17)7-8-23(12-20)18(24)10-13-3-2-4-14(21)9-13/h2-6,9,11H,7-8,10,12H2,1H3,(H,22,25)
InChIKeyBQOKGKRKNVBHQB-UHFFFAOYSA-N
XLogP2.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-[2-(3-fluorophenyl)acetyl]-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-[2-(3-fluorophenyl)acetyl]-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 53177055) is 1'-[2-(3-fluorophenyl)acetyl]-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-[2-(3-fluorophenyl)acetyl]-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-[2-(3-fluorophenyl)acetyl]-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one is COc1ccc2c(c1)C1(CCN(C(=O)Cc3cccc(F)c3)C1)C(=O)N2.
What is the InChIKey of 1'-[2-(3-fluorophenyl)acetyl]-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is BQOKGKRKNVBHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-26-15-5-6-17-16(11-15)20(19(25)22-17)7-8-23(12-20)18(24)10-13-3-2-4-14(21)9-13/h2-6,9,11H,7-8,10,12H2,1H3,(H,22,25).
What are the key properties of 1'-[2-(3-fluorophenyl)acetyl]-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
1'-[2-(3-fluorophenyl)acetyl]-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 354.38 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(3-fluorophenyl)acetyl]-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 53177055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).