1'-(3-phenoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one

C24H19NO4 — CID 11501894

IUPAC1'-(3-phenoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
SMILESO=C1OC2(CCN(C(=O)c3cccc(Oc4ccccc4)c3)C2)c2ccccc21
InChIInChI=1S/C24H19NO4/c26-22(17-7-6-10-19(15-17)28-18-8-2-1-3-9-18)25-14-13-24(16-25)21-12-5-4-11-20(21)23(27)29-24/h1-12,15H,13-14,16H2
InChIKeyNMUKUWYMEFYMAU-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.39
Rot. Bonds3

About 1'-(3-phenoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one

1'-(3-phenoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one (PubChem CID 11501894) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 1'-(3-phenoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one.

Molecular Properties

Compound Name1'-(3-phenoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
PubChem CID11501894
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Name1'-(3-phenoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
SMILESO=C1OC2(CCN(C(=O)c3cccc(Oc4ccccc4)c3)C2)c2ccccc21
InChIInChI=1S/C24H19NO4/c26-22(17-7-6-10-19(15-17)28-18-8-2-1-3-9-18)25-14-13-24(16-25)21-12-5-4-11-20(21)23(27)29-24/h1-12,15H,13-14,16H2
InChIKeyNMUKUWYMEFYMAU-UHFFFAOYSA-N
XLogP4.39
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-methylphenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]acetic acid
CID 753410
1H-Isoindole-1,3(2H)-dione, 5,5'-[[1,1'-biphenyl]-4,4'-diylbis(oxy)]bis[2-methyl-
CID 6454553
3,5-dimethylphenyl 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate
CID 723971
4-[3-methoxy-3-oxo-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propyl]phenyl 4-methylbenzenecarboxylate
CID 3346019
4-[3-methoxy-3-oxo-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propyl]phenyl 2-methylbenzenecarboxylate
CID 3406491
2-{5-[2-(Carboxymethyl)-1,3-dioxobenzo[c]azolin-5-yloxy]-1,3-dioxobenzo[c]azol in-2-yl}acetic acid
CID 3147210
(2S)-1-[3-[[4-(2,3-dihydro-1-benzofuran-7-yl)phenoxy]methyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 89555407
2-naphthyl 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate
CID 890786
3-{5-[2-(2-Carboxy-ethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yloxy]-1,3-dioxo-1,3-dihydro-isoindol-2-yl}-propionic acid
CID 3130477
2-cyclopentyl-5-[(3-phenylphenyl)methoxy]-3H-isoindol-1-one
CID 53390601
3,5-dimethylphenyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
CID 723973
5-(4-methylphenoxy)-2-(tetrahydro-2-furanylmethyl)-1H-isoindole-1,3(2H)-dione
CID 2935441

Frequently Asked Questions

What is the IUPAC name of 1'-(3-phenoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The IUPAC name of 1'-(3-phenoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one (CID 11501894) is 1'-(3-phenoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one.
What is the SMILES notation for 1'-(3-phenoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The canonical SMILES for 1'-(3-phenoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one is O=C1OC2(CCN(C(=O)c3cccc(Oc4ccccc4)c3)C2)c2ccccc21.
What is the InChIKey of 1'-(3-phenoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The InChIKey is NMUKUWYMEFYMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4/c26-22(17-7-6-10-19(15-17)28-18-8-2-1-3-9-18)25-14-13-24(16-25)21-12-5-4-11-20(21)23(27)29-24/h1-12,15H,13-14,16H2.
What are the key properties of 1'-(3-phenoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
1'-(3-phenoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one has a molecular weight of 385.42 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-phenoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one is sourced from PubChem (CID 11501894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).