2-[2-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]ethyl]isoindole-1,3-dione

C23H22N2O2 — CID 22396961

IUPAC2-[2-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]ethyl]isoindole-1,3-dione
SMILESC=CC(C)(C)c1[nH]c2ccccc2c1CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H22N2O2/c1-4-23(2,3)20-16(15-9-7-8-12-19(15)24-20)13-14-25-21(26)17-10-5-6-11-18(17)22(25)27/h4-12,24H,1,13-14H2,2-3H3
InChIKeyOLCDAYLBZCYJDI-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.47
Rot. Bonds5

About 2-[2-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]ethyl]isoindole-1,3-dione

2-[2-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]ethyl]isoindole-1,3-dione (PubChem CID 22396961) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[2-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]ethyl]isoindole-1,3-dione
PubChem CID22396961
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name2-[2-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]ethyl]isoindole-1,3-dione
SMILESC=CC(C)(C)c1[nH]c2ccccc2c1CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H22N2O2/c1-4-23(2,3)20-16(15-9-7-8-12-19(15)24-20)13-14-25-21(26)17-10-5-6-11-18(17)22(25)27/h4-12,24H,1,13-14H2,2-3H3
InChIKeyOLCDAYLBZCYJDI-UHFFFAOYSA-N
XLogP4.47
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione
CID 707361
3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 607655
(3E)-3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-6-methylidenepiperazine-2,5-dione
CID 165368631
2-pentadec-14-enylisoindole-1,3-dione
CID 140882474
2-[3-(1H-indol-3-yl)propyl]isoindole-1,3-dione
CID 906585
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
5-chloro-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1H-indole-2-carboxylate
CID 6990063
2-[(3-methyl-1H-indol-2-yl)methyl]isoindole-1,3-dione
CID 11623432
2-[2-(2,6-dichlorophenyl)ethyl]isoindole-1,3-dione
CID 126721012
2-(3-tert-butylsulfonylpropyl)isoindole-1,3-dione
CID 163975331
(4Z)-4-(dimethylaminomethylidene)-2-[2-(1H-indol-3-yl)ethyl]isoquinoline-1,3-dione
CID 6512110
methyl (2S)-3-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoate
CID 11111764

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]ethyl]isoindole-1,3-dione (CID 22396961) is 2-[2-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]ethyl]isoindole-1,3-dione is C=CC(C)(C)c1[nH]c2ccccc2c1CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]ethyl]isoindole-1,3-dione?
The InChIKey is OLCDAYLBZCYJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-4-23(2,3)20-16(15-9-7-8-12-19(15)24-20)13-14-25-21(26)17-10-5-6-11-18(17)22(25)27/h4-12,24H,1,13-14H2,2-3H3.
What are the key properties of 2-[2-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]ethyl]isoindole-1,3-dione?
2-[2-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]ethyl]isoindole-1,3-dione has a molecular weight of 358.44 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 22396961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).