1-[6-(2,3-dioxoindol-1-yl)hexyl]indole-2,3-dione

C22H20N2O4 — CID 11588896

IUPAC1-[6-(2,3-dioxoindol-1-yl)hexyl]indole-2,3-dione
SMILESO=C1C(=O)N(CCCCCCN2C(=O)C(=O)c3ccccc32)c2ccccc21
InChIInChI=1S/C22H20N2O4/c25-19-15-9-3-5-11-17(15)23(21(19)27)13-7-1-2-8-14-24-18-12-6-4-10-16(18)20(26)22(24)28/h3-6,9-12H,1-2,7-8,13-14H2
InChIKeyJFFIHEGMOWVDHV-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.01
Rot. Bonds7

About 1-[6-(2,3-dioxoindol-1-yl)hexyl]indole-2,3-dione

1-[6-(2,3-dioxoindol-1-yl)hexyl]indole-2,3-dione (PubChem CID 11588896) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 1-[6-(2,3-dioxoindol-1-yl)hexyl]indole-2,3-dione.

Molecular Properties

Compound Name1-[6-(2,3-dioxoindol-1-yl)hexyl]indole-2,3-dione
PubChem CID11588896
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name1-[6-(2,3-dioxoindol-1-yl)hexyl]indole-2,3-dione
SMILESO=C1C(=O)N(CCCCCCN2C(=O)C(=O)c3ccccc32)c2ccccc21
InChIInChI=1S/C22H20N2O4/c25-19-15-9-3-5-11-17(15)23(21(19)27)13-7-1-2-8-14-24-18-12-6-4-10-16(18)20(26)22(24)28/h3-6,9-12H,1-2,7-8,13-14H2
InChIKeyJFFIHEGMOWVDHV-UHFFFAOYSA-N
XLogP3.01
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,3-dioxoindol-1-yl)hexyl]indole-2,3-dione?
The IUPAC name of 1-[6-(2,3-dioxoindol-1-yl)hexyl]indole-2,3-dione (CID 11588896) is 1-[6-(2,3-dioxoindol-1-yl)hexyl]indole-2,3-dione.
What is the SMILES notation for 1-[6-(2,3-dioxoindol-1-yl)hexyl]indole-2,3-dione?
The canonical SMILES for 1-[6-(2,3-dioxoindol-1-yl)hexyl]indole-2,3-dione is O=C1C(=O)N(CCCCCCN2C(=O)C(=O)c3ccccc32)c2ccccc21.
What is the InChIKey of 1-[6-(2,3-dioxoindol-1-yl)hexyl]indole-2,3-dione?
The InChIKey is JFFIHEGMOWVDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c25-19-15-9-3-5-11-17(15)23(21(19)27)13-7-1-2-8-14-24-18-12-6-4-10-16(18)20(26)22(24)28/h3-6,9-12H,1-2,7-8,13-14H2.
What are the key properties of 1-[6-(2,3-dioxoindol-1-yl)hexyl]indole-2,3-dione?
1-[6-(2,3-dioxoindol-1-yl)hexyl]indole-2,3-dione has a molecular weight of 376.41 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,3-dioxoindol-1-yl)hexyl]indole-2,3-dione is sourced from PubChem (CID 11588896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).