(3R)-1'-benzylspiro[1H-indole-3,3'-pyrrolidine]-2,2',5'-trione

C18H14N2O3 — CID 101472182

IUPAC(3R)-1'-benzylspiro[1H-indole-3,3'-pyrrolidine]-2,2',5'-trione
SMILESO=C1C[C@@]2(C(=O)Nc3ccccc32)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H14N2O3/c21-15-10-18(13-8-4-5-9-14(13)19-16(18)22)17(23)20(15)11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,22)/t18-/m1/s1
InChIKeyWPYZVGRGAHWPPO-GOSISDBHSA-N
MW306.32 g/mol
LogP1.84
Rot. Bonds2

About (3R)-1'-benzylspiro[1H-indole-3,3'-pyrrolidine]-2,2',5'-trione

(3R)-1'-benzylspiro[1H-indole-3,3'-pyrrolidine]-2,2',5'-trione (PubChem CID 101472182) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is (3R)-1'-benzylspiro[1H-indole-3,3'-pyrrolidine]-2,2',5'-trione.

Molecular Properties

Compound Name(3R)-1'-benzylspiro[1H-indole-3,3'-pyrrolidine]-2,2',5'-trione
PubChem CID101472182
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name(3R)-1'-benzylspiro[1H-indole-3,3'-pyrrolidine]-2,2',5'-trione
SMILESO=C1C[C@@]2(C(=O)Nc3ccccc32)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H14N2O3/c21-15-10-18(13-8-4-5-9-14(13)19-16(18)22)17(23)20(15)11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,22)/t18-/m1/s1
InChIKeyWPYZVGRGAHWPPO-GOSISDBHSA-N
XLogP1.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-benzyl-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 102187715
1-benzyl-3,3,4,4-tetradeuteriopyrrolidine-2,5-dione
CID 171688557
2-[3-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)-2-oxo-1H-indol-3-yl]propanedinitrile
CID 164680549
2-[(3S)-5-chloro-1'-[(3-chlorophenyl)methyl]-2,2',5'-trioxospiro[indole-3,3'-pyrrolidine]-1-yl]acetic acid
CID 15949678
2-benzyl-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride
CID 118741619
1-(3-chloropropyl)-3,3-diphenylpyrrolidine-2,5-dione
CID 89315616
3'-benzyl-5-chlorospiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione
CID 58017128
(3S,3'aR,8'aR,8'bR)-2'-benzylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
CID 6554127
1'-benzylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 24714506
5-chloro-1',7'-bis[(4-chlorophenyl)methyl]spiro[1H-indole-3,4'-5H-pyrazolo[5,4-b]pyridine]-2,6'-dione
CID 123652132
(3R)-3-benzyl-3-hydroxy-1H-indol-2-one
CID 139192718
(1R,3R,3aR,6aR)-5-benzyl-1-(hydroxymethyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 6353084

Frequently Asked Questions

What is the IUPAC name of (3R)-1'-benzylspiro[1H-indole-3,3'-pyrrolidine]-2,2',5'-trione?
The IUPAC name of (3R)-1'-benzylspiro[1H-indole-3,3'-pyrrolidine]-2,2',5'-trione (CID 101472182) is (3R)-1'-benzylspiro[1H-indole-3,3'-pyrrolidine]-2,2',5'-trione.
What is the SMILES notation for (3R)-1'-benzylspiro[1H-indole-3,3'-pyrrolidine]-2,2',5'-trione?
The canonical SMILES for (3R)-1'-benzylspiro[1H-indole-3,3'-pyrrolidine]-2,2',5'-trione is O=C1C[C@@]2(C(=O)Nc3ccccc32)C(=O)N1Cc1ccccc1.
What is the InChIKey of (3R)-1'-benzylspiro[1H-indole-3,3'-pyrrolidine]-2,2',5'-trione?
The InChIKey is WPYZVGRGAHWPPO-GOSISDBHSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-15-10-18(13-8-4-5-9-14(13)19-16(18)22)17(23)20(15)11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,22)/t18-/m1/s1.
What are the key properties of (3R)-1'-benzylspiro[1H-indole-3,3'-pyrrolidine]-2,2',5'-trione?
(3R)-1'-benzylspiro[1H-indole-3,3'-pyrrolidine]-2,2',5'-trione has a molecular weight of 306.32 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1'-benzylspiro[1H-indole-3,3'-pyrrolidine]-2,2',5'-trione is sourced from PubChem (CID 101472182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).