2'-cyclohexylspiro[2H-isoindole-3,4'-3a,8b-dihydroindeno[1,2-c]pyrrole]-1,1',3'-trione

C24H22N2O3 — CID 142745046

IUPAC2'-cyclohexylspiro[2H-isoindole-3,4'-3a,8b-dihydroindeno[1,2-c]pyrrole]-1,1',3'-trione
SMILESO=C1NC2(c3ccccc31)c1ccccc1C1C(=O)N(C3CCCCC3)C(=O)C12
InChIInChI=1S/C24H22N2O3/c27-21-16-11-5-7-13-18(16)24(25-21)17-12-6-4-10-15(17)19-20(24)23(29)26(22(19)28)14-8-2-1-3-9-14/h4-7,10-14,19-20H,1-3,8-9H2,(H,25,27)
InChIKeyRTXLQYMGOPXFCL-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.09
Rot. Bonds1

About 2'-cyclohexylspiro[2H-isoindole-3,4'-3a,8b-dihydroindeno[1,2-c]pyrrole]-1,1',3'-trione

2'-cyclohexylspiro[2H-isoindole-3,4'-3a,8b-dihydroindeno[1,2-c]pyrrole]-1,1',3'-trione (PubChem CID 142745046) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2'-cyclohexylspiro[2H-isoindole-3,4'-3a,8b-dihydroindeno[1,2-c]pyrrole]-1,1',3'-trione.

Molecular Properties

Compound Name2'-cyclohexylspiro[2H-isoindole-3,4'-3a,8b-dihydroindeno[1,2-c]pyrrole]-1,1',3'-trione
PubChem CID142745046
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name2'-cyclohexylspiro[2H-isoindole-3,4'-3a,8b-dihydroindeno[1,2-c]pyrrole]-1,1',3'-trione
SMILESO=C1NC2(c3ccccc31)c1ccccc1C1C(=O)N(C3CCCCC3)C(=O)C12
InChIInChI=1S/C24H22N2O3/c27-21-16-11-5-7-13-18(16)24(25-21)17-12-6-4-10-15(17)19-20(24)23(29)26(22(19)28)14-8-2-1-3-9-14/h4-7,10-14,19-20H,1-3,8-9H2,(H,25,27)
InChIKeyRTXLQYMGOPXFCL-UHFFFAOYSA-N
XLogP3.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2'-methylspiro[2H-isoindole-3,4'-3a,8b-dihydroindeno[1,2-c]pyrrole]-1,1',3'-trione
CID 142745066
2'-benzylspiro[2H-isoindole-3,4'-3a,8b-dihydroindeno[1,2-c]pyrrole]-1,1',3'-trione
CID 142745047
3-cyclohexyl-3-phenyl-2H-isoindol-1-one
CID 134952980
(3S,3aR,6aS)-5-cyclohexylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 7456136
2-cyclodecylisoindole-1,3-dione
CID 123786237
1-cyclopentyl-3,3-dimethyl-4H-1,4-benzodiazepine-2,5-dione
CID 82937150
9-cyclohexyl-4,4-dimethyl-2,6,9-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),12,14-triene-5,8,10-trione
CID 175857012
(1R,3aR,6aS)-1-(2-chlorophenyl)-5-cyclopentylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
CID 51577965
(3aS,4S,7S,7aR)-2-cyclohexyl-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 6593595
1-benzyl-5-cyclohexylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 4894550
(3S)-3'-cyclohexylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 704651
(1S,3R,3aR,6aS)-5-cyclopentyl-1-[(1R)-1-hydroxyethyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 7093381

Frequently Asked Questions

What is the IUPAC name of 2'-cyclohexylspiro[2H-isoindole-3,4'-3a,8b-dihydroindeno[1,2-c]pyrrole]-1,1',3'-trione?
The IUPAC name of 2'-cyclohexylspiro[2H-isoindole-3,4'-3a,8b-dihydroindeno[1,2-c]pyrrole]-1,1',3'-trione (CID 142745046) is 2'-cyclohexylspiro[2H-isoindole-3,4'-3a,8b-dihydroindeno[1,2-c]pyrrole]-1,1',3'-trione.
What is the SMILES notation for 2'-cyclohexylspiro[2H-isoindole-3,4'-3a,8b-dihydroindeno[1,2-c]pyrrole]-1,1',3'-trione?
The canonical SMILES for 2'-cyclohexylspiro[2H-isoindole-3,4'-3a,8b-dihydroindeno[1,2-c]pyrrole]-1,1',3'-trione is O=C1NC2(c3ccccc31)c1ccccc1C1C(=O)N(C3CCCCC3)C(=O)C12.
What is the InChIKey of 2'-cyclohexylspiro[2H-isoindole-3,4'-3a,8b-dihydroindeno[1,2-c]pyrrole]-1,1',3'-trione?
The InChIKey is RTXLQYMGOPXFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c27-21-16-11-5-7-13-18(16)24(25-21)17-12-6-4-10-15(17)19-20(24)23(29)26(22(19)28)14-8-2-1-3-9-14/h4-7,10-14,19-20H,1-3,8-9H2,(H,25,27).
What are the key properties of 2'-cyclohexylspiro[2H-isoindole-3,4'-3a,8b-dihydroindeno[1,2-c]pyrrole]-1,1',3'-trione?
2'-cyclohexylspiro[2H-isoindole-3,4'-3a,8b-dihydroindeno[1,2-c]pyrrole]-1,1',3'-trione has a molecular weight of 386.45 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-cyclohexylspiro[2H-isoindole-3,4'-3a,8b-dihydroindeno[1,2-c]pyrrole]-1,1',3'-trione is sourced from PubChem (CID 142745046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).