1'-(4-methoxybenzoyl)-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one

C27H26N2O3 — CID 134792109

IUPAC1'-(4-methoxybenzoyl)-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc(C(=O)N2CCC3(C2)C(=O)N(CCc2ccccc2)c2ccccc23)cc1
InChIInChI=1S/C27H26N2O3/c1-32-22-13-11-21(12-14-22)25(30)28-18-16-27(19-28)23-9-5-6-10-24(23)29(26(27)31)17-15-20-7-3-2-4-8-20/h2-14H,15-19H2,1H3
InChIKeyONHJYKRDHGAEGV-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.07
Rot. Bonds5

About 1'-(4-methoxybenzoyl)-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one

1'-(4-methoxybenzoyl)-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 134792109) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is 1'-(4-methoxybenzoyl)-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-(4-methoxybenzoyl)-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID134792109
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC Name1'-(4-methoxybenzoyl)-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc(C(=O)N2CCC3(C2)C(=O)N(CCc2ccccc2)c2ccccc23)cc1
InChIInChI=1S/C27H26N2O3/c1-32-22-13-11-21(12-14-22)25(30)28-18-16-27(19-28)23-9-5-6-10-24(23)29(26(27)31)17-15-20-7-3-2-4-8-20/h2-14H,15-19H2,1H3
InChIKeyONHJYKRDHGAEGV-UHFFFAOYSA-N
XLogP4.07
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(4-methoxybenzoyl)-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-(4-methoxybenzoyl)-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one (CID 134792109) is 1'-(4-methoxybenzoyl)-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-(4-methoxybenzoyl)-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-(4-methoxybenzoyl)-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one is COc1ccc(C(=O)N2CCC3(C2)C(=O)N(CCc2ccccc2)c2ccccc23)cc1.
What is the InChIKey of 1'-(4-methoxybenzoyl)-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is ONHJYKRDHGAEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3/c1-32-22-13-11-21(12-14-22)25(30)28-18-16-27(19-28)23-9-5-6-10-24(23)29(26(27)31)17-15-20-7-3-2-4-8-20/h2-14H,15-19H2,1H3.
What are the key properties of 1'-(4-methoxybenzoyl)-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one?
1'-(4-methoxybenzoyl)-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 426.52 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-methoxybenzoyl)-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 134792109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).