2-[3-(5-ethylindol-1-yl)propyl]isoindole-1,3-dione

C21H20N2O2 — CID 110831237

IUPAC2-[3-(5-ethylindol-1-yl)propyl]isoindole-1,3-dione
SMILESCCc1ccc2c(ccn2CCCN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C21H20N2O2/c1-2-15-8-9-19-16(14-15)10-13-22(19)11-5-12-23-20(24)17-6-3-4-7-18(17)21(23)25/h3-4,6-10,13-14H,2,5,11-12H2,1H3
InChIKeyLWRCAUZOIYXOBV-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.89
Rot. Bonds5

About 2-[3-(5-ethylindol-1-yl)propyl]isoindole-1,3-dione

2-[3-(5-ethylindol-1-yl)propyl]isoindole-1,3-dione (PubChem CID 110831237) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[3-(5-ethylindol-1-yl)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(5-ethylindol-1-yl)propyl]isoindole-1,3-dione
PubChem CID110831237
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name2-[3-(5-ethylindol-1-yl)propyl]isoindole-1,3-dione
SMILESCCc1ccc2c(ccn2CCCN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C21H20N2O2/c1-2-15-8-9-19-16(14-15)10-13-22(19)11-5-12-23-20(24)17-6-3-4-7-18(17)21(23)25/h3-4,6-10,13-14H,2,5,11-12H2,1H3
InChIKeyLWRCAUZOIYXOBV-UHFFFAOYSA-N
XLogP3.89
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-1-(2-methoxyethyl)indole
CID 71073272
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
(1-butylindol-5-yl)methanol
CID 102912394
1-(4-indol-1-ylbutyl)indole-2,3-dione
CID 137357540
iridium;2-[3-(5-methylimidazol-1-yl)propyl]isoindole-1,3-dione
CID 145497513
2-[[4-[4-(indol-1-ylmethyl)phenyl]phenyl]methyl]isoindole-1,3-dione
CID 139959456
2-[2-(4-ethylphenoxy)ethyl]isoindole-1,3-dione
CID 17368121
3-[5-(ethylaminomethyl)indol-1-yl]propan-1-ol
CID 102915831
3-(1,3-dioxoisoindol-2-yl)propyl-[4-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]butyl]-dimethylazanium
CID 10770828
hydron;2-propylisoindole-1,3-dione
CID 174827386
1-[2-(4-tert-butylphenoxy)ethyl]-5-ethylindole
CID 110831226
2-[3-(2-benzyl-4-methylimidazol-1-yl)propyl]isoindole-1,3-dione
CID 19429377

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-ethylindol-1-yl)propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(5-ethylindol-1-yl)propyl]isoindole-1,3-dione (CID 110831237) is 2-[3-(5-ethylindol-1-yl)propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(5-ethylindol-1-yl)propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(5-ethylindol-1-yl)propyl]isoindole-1,3-dione is CCc1ccc2c(ccn2CCCN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-[3-(5-ethylindol-1-yl)propyl]isoindole-1,3-dione?
The InChIKey is LWRCAUZOIYXOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-2-15-8-9-19-16(14-15)10-13-22(19)11-5-12-23-20(24)17-6-3-4-7-18(17)21(23)25/h3-4,6-10,13-14H,2,5,11-12H2,1H3.
What are the key properties of 2-[3-(5-ethylindol-1-yl)propyl]isoindole-1,3-dione?
2-[3-(5-ethylindol-1-yl)propyl]isoindole-1,3-dione has a molecular weight of 332.40 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-ethylindol-1-yl)propyl]isoindole-1,3-dione is sourced from PubChem (CID 110831237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).