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

C19H16N2O2 — CID 707361

IUPAC2-[2-(2-methyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione
SMILESCc1[nH]c2ccccc2c1CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H16N2O2/c1-12-13(14-6-4-5-9-17(14)20-12)10-11-21-18(22)15-7-2-3-8-16(15)19(21)23/h2-9,20H,10-11H2,1H3
InChIKeyDDCRNKRVZIFVSO-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.32
Rot. Bonds3

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

2-[2-(2-methyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione (PubChem CID 707361) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[2-(2-methyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(2-methyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione
PubChem CID707361
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name2-[2-(2-methyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione
SMILESCc1[nH]c2ccccc2c1CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H16N2O2/c1-12-13(14-6-4-5-9-17(14)20-12)10-11-21-18(22)15-7-2-3-8-16(15)19(21)23/h2-9,20H,10-11H2,1H3
InChIKeyDDCRNKRVZIFVSO-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': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[2-(2-methyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]ethyl]isoindole-1,3-dione
CID 22396961
2-[2-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 4994200
2-methyl-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82279050
2-[(3-methyl-1H-indol-2-yl)methyl]isoindole-1,3-dione
CID 11623432
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
3-(3-chloropropyl)-2-methyl-1H-indole
CID 13022442
5-(2-methyl-1H-indol-3-yl)pentan-2-one
CID 116927762
3-acetyl-4-hydroxy-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(4-methylphenyl)-2H-pyrrol-5-one;carbon dioxide
CID 159369422
2-methyl-3-propyl-1H-quinolin-4-one
CID 826058
2-(2-methyl-1H-indol-3-yl)-N,N-bis(phosphanyl)ethanamine
CID 144501748
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
2-[2-(2,6-dichlorophenyl)ethyl]isoindole-1,3-dione
CID 126721012

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(2-methyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione (CID 707361) is 2-[2-(2-methyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(2-methyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(2-methyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione is Cc1[nH]c2ccccc2c1CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-(2-methyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione?
The InChIKey is DDCRNKRVZIFVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-12-13(14-6-4-5-9-17(14)20-12)10-11-21-18(22)15-7-2-3-8-16(15)19(21)23/h2-9,20H,10-11H2,1H3.
What are the key properties of 2-[2-(2-methyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione?
2-[2-(2-methyl-1H-indol-3-yl)ethyl]isoindole-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-(2-methyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 707361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).