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

C19H17FN2O3 — CID 53177025

IUPAC1'-(2-fluorobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)C1(CCN(C(=O)c3ccccc3F)C1)C(=O)N2
InChIInChI=1S/C19H17FN2O3/c1-25-12-6-7-16-14(10-12)19(18(24)21-16)8-9-22(11-19)17(23)13-4-2-3-5-15(13)20/h2-7,10H,8-9,11H2,1H3,(H,21,24)
InChIKeyCQOUHVVRRUTACB-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.57
Rot. Bonds2

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

1'-(2-fluorobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 53177025) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is 1'-(2-fluorobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-(2-fluorobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID53177025
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name1'-(2-fluorobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)C1(CCN(C(=O)c3ccccc3F)C1)C(=O)N2
InChIInChI=1S/C19H17FN2O3/c1-25-12-6-7-16-14(10-12)19(18(24)21-16)8-9-22(11-19)17(23)13-4-2-3-5-15(13)20/h2-7,10H,8-9,11H2,1H3,(H,21,24)
InChIKeyCQOUHVVRRUTACB-UHFFFAOYSA-N
XLogP2.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-fluorobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-(2-fluorobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 53177025) is 1'-(2-fluorobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-(2-fluorobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-(2-fluorobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one is COc1ccc2c(c1)C1(CCN(C(=O)c3ccccc3F)C1)C(=O)N2.
What is the InChIKey of 1'-(2-fluorobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is CQOUHVVRRUTACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-25-12-6-7-16-14(10-12)19(18(24)21-16)8-9-22(11-19)17(23)13-4-2-3-5-15(13)20/h2-7,10H,8-9,11H2,1H3,(H,21,24).
What are the key properties of 1'-(2-fluorobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
1'-(2-fluorobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 340.35 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-fluorobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 53177025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).