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

C20H20N2O3 — CID 53177139

IUPAC1'-(2-methoxybenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccccc1C(=O)N1CCC2(C1)C(=O)N(C)c1ccccc12
InChIInChI=1S/C20H20N2O3/c1-21-16-9-5-4-8-15(16)20(19(21)24)11-12-22(13-20)18(23)14-7-3-6-10-17(14)25-2/h3-10H,11-13H2,1-2H3
InChIKeyYKSYVRHYHRRPMC-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.46
Rot. Bonds2

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

1'-(2-methoxybenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 53177139) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1'-(2-methoxybenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-(2-methoxybenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID53177139
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name1'-(2-methoxybenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccccc1C(=O)N1CCC2(C1)C(=O)N(C)c1ccccc12
InChIInChI=1S/C20H20N2O3/c1-21-16-9-5-4-8-15(16)20(19(21)24)11-12-22(13-20)18(23)14-7-3-6-10-17(14)25-2/h3-10H,11-13H2,1-2H3
InChIKeyYKSYVRHYHRRPMC-UHFFFAOYSA-N
XLogP2.46
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-methoxybenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-(2-methoxybenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one (CID 53177139) is 1'-(2-methoxybenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-(2-methoxybenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-(2-methoxybenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one is COc1ccccc1C(=O)N1CCC2(C1)C(=O)N(C)c1ccccc12.
What is the InChIKey of 1'-(2-methoxybenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is YKSYVRHYHRRPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-21-16-9-5-4-8-15(16)20(19(21)24)11-12-22(13-20)18(23)14-7-3-6-10-17(14)25-2/h3-10H,11-13H2,1-2H3.
What are the key properties of 1'-(2-methoxybenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
1'-(2-methoxybenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 336.39 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-methoxybenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 53177139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).