2-[2-(1H-indol-3-yl)ethyl]-5-methylisoindole-1,3-dione

C19H16N2O2 — CID 1204633

IUPAC2-[2-(1H-indol-3-yl)ethyl]-5-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(CCc1c[nH]c3ccccc13)C2=O
InChIInChI=1S/C19H16N2O2/c1-12-6-7-15-16(10-12)19(23)21(18(15)22)9-8-13-11-20-17-5-3-2-4-14(13)17/h2-7,10-11,20H,8-9H2,1H3
InChIKeyALQJEEFFAQMVLK-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.32
Rot. Bonds3

About 2-[2-(1H-indol-3-yl)ethyl]-5-methylisoindole-1,3-dione

2-[2-(1H-indol-3-yl)ethyl]-5-methylisoindole-1,3-dione (PubChem CID 1204633) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[2-(1H-indol-3-yl)ethyl]-5-methylisoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(1H-indol-3-yl)ethyl]-5-methylisoindole-1,3-dione
PubChem CID1204633
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name2-[2-(1H-indol-3-yl)ethyl]-5-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(CCc1c[nH]c3ccccc13)C2=O
InChIInChI=1S/C19H16N2O2/c1-12-6-7-15-16(10-12)19(23)21(18(15)22)9-8-13-11-20-17-5-3-2-4-14(13)17/h2-7,10-11,20H,8-9H2,1H3
InChIKeyALQJEEFFAQMVLK-UHFFFAOYSA-N
XLogP3.32
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 906603
N'-[2-(1H-indol-3-yl)acetyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanehydrazide
CID 32795936
2-[3-(1H-indol-3-yl)propyl]isoindole-1,3-dione
CID 906585
(4Z)-4-(dimethylaminomethylidene)-2-[2-(1H-indol-3-yl)ethyl]isoquinoline-1,3-dione
CID 6512110
3-(2,4-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylpyrrole-2,5-dione
CID 110577918
N-(1-hydroxypropan-2-yl)-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 42651933
N-butan-2-yl-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 42653008
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 51973033
2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide
CID 29128923
2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione
CID 3775891
3-(4-ethylpiperazin-1-yl)-1-[2-(1H-indol-3-yl)ethyl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110571672
2-(1H-indol-3-ylmethyl)isoindole-1,3-dione
CID 12504745

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-3-yl)ethyl]-5-methylisoindole-1,3-dione?
The IUPAC name of 2-[2-(1H-indol-3-yl)ethyl]-5-methylisoindole-1,3-dione (CID 1204633) is 2-[2-(1H-indol-3-yl)ethyl]-5-methylisoindole-1,3-dione.
What is the SMILES notation for 2-[2-(1H-indol-3-yl)ethyl]-5-methylisoindole-1,3-dione?
The canonical SMILES for 2-[2-(1H-indol-3-yl)ethyl]-5-methylisoindole-1,3-dione is Cc1ccc2c(c1)C(=O)N(CCc1c[nH]c3ccccc13)C2=O.
What is the InChIKey of 2-[2-(1H-indol-3-yl)ethyl]-5-methylisoindole-1,3-dione?
The InChIKey is ALQJEEFFAQMVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-12-6-7-15-16(10-12)19(23)21(18(15)22)9-8-13-11-20-17-5-3-2-4-14(13)17/h2-7,10-11,20H,8-9H2,1H3.
What are the key properties of 2-[2-(1H-indol-3-yl)ethyl]-5-methylisoindole-1,3-dione?
2-[2-(1H-indol-3-yl)ethyl]-5-methylisoindole-1,3-dione has a molecular weight of 304.35 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indol-3-yl)ethyl]-5-methylisoindole-1,3-dione is sourced from PubChem (CID 1204633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).