1-[2-(2,3-dioxoindol-1-yl)ethyl]indole-2,3-dione

C18H12N2O4 — CID 3114312

IUPAC1-[2-(2,3-dioxoindol-1-yl)ethyl]indole-2,3-dione
SMILESO=C1C(=O)N(CCN2C(=O)C(=O)c3ccccc32)c2ccccc21
InChIInChI=1S/C18H12N2O4/c21-15-11-5-1-3-7-13(11)19(17(15)23)9-10-20-14-8-4-2-6-12(14)16(22)18(20)24/h1-8H,9-10H2
InChIKeyZICIZFBOAQLOTF-UHFFFAOYSA-N
MW320.30 g/mol
LogP1.45
Rot. Bonds3

About 1-[2-(2,3-dioxoindol-1-yl)ethyl]indole-2,3-dione

1-[2-(2,3-dioxoindol-1-yl)ethyl]indole-2,3-dione (PubChem CID 3114312) has the molecular formula C18H12N2O4 and a molecular weight of 320.30 g/mol. Its IUPAC name is 1-[2-(2,3-dioxoindol-1-yl)ethyl]indole-2,3-dione.

Molecular Properties

Compound Name1-[2-(2,3-dioxoindol-1-yl)ethyl]indole-2,3-dione
PubChem CID3114312
Molecular FormulaC18H12N2O4
Molecular Weight320.30 g/mol
Exact Mass320.08
IUPAC Name1-[2-(2,3-dioxoindol-1-yl)ethyl]indole-2,3-dione
SMILESO=C1C(=O)N(CCN2C(=O)C(=O)c3ccccc32)c2ccccc21
InChIInChI=1S/C18H12N2O4/c21-15-11-5-1-3-7-13(11)19(17(15)23)9-10-20-14-8-4-2-6-12(14)16(22)18(20)24/h1-8H,9-10H2
InChIKeyZICIZFBOAQLOTF-UHFFFAOYSA-N
XLogP1.45
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(2,3-dioxoindol-1-yl)ethyl]indole-2,3-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

Acetylisatin
CID 11321
1-Phenylisatin
CID 12884
1-Methylisatin
CID 16358
1-(4-Chlorobenzyl)-1H-indole-2,3-dione
CID 277990
1-Benzylisatin
CID 264734
1-((4-bromophenyl)methyl)-2,3-dihydro-1H-indole-2,3-dione
CID 3008304
1-hexadecyl-1H-indole-2,3-dione
CID 3772674
1-benzyl-5-nitro-2,3-dihydro-1H-indole-2,3-dione
CID 10826725
Indole-2,3-dione, 1-(hydroxymethyl)-
CID 39834
2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetic acid
CID 43402
1-Benzyl-5-bromoisatin
CID 54357
(S)-N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide
CID 2817619

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dioxoindol-1-yl)ethyl]indole-2,3-dione?
The IUPAC name of 1-[2-(2,3-dioxoindol-1-yl)ethyl]indole-2,3-dione (CID 3114312) is 1-[2-(2,3-dioxoindol-1-yl)ethyl]indole-2,3-dione.
What is the SMILES notation for 1-[2-(2,3-dioxoindol-1-yl)ethyl]indole-2,3-dione?
The canonical SMILES for 1-[2-(2,3-dioxoindol-1-yl)ethyl]indole-2,3-dione is O=C1C(=O)N(CCN2C(=O)C(=O)c3ccccc32)c2ccccc21.
What is the InChIKey of 1-[2-(2,3-dioxoindol-1-yl)ethyl]indole-2,3-dione?
The InChIKey is ZICIZFBOAQLOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O4/c21-15-11-5-1-3-7-13(11)19(17(15)23)9-10-20-14-8-4-2-6-12(14)16(22)18(20)24/h1-8H,9-10H2.
What are the key properties of 1-[2-(2,3-dioxoindol-1-yl)ethyl]indole-2,3-dione?
1-[2-(2,3-dioxoindol-1-yl)ethyl]indole-2,3-dione has a molecular weight of 320.30 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dioxoindol-1-yl)ethyl]indole-2,3-dione is sourced from PubChem (CID 3114312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).