1-(4-indol-1-ylbutyl)indole-2,3-dione

C20H18N2O2 — CID 137357540

IUPAC1-(4-indol-1-ylbutyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCCCn2ccc3ccccc32)c2ccccc21
InChIInChI=1S/C20H18N2O2/c23-19-16-8-2-4-10-18(16)22(20(19)24)13-6-5-12-21-14-11-15-7-1-3-9-17(15)21/h1-4,7-11,14H,5-6,12-13H2
InChIKeyIPYLFPCDUIISQW-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.65
Rot. Bonds5

About 1-(4-indol-1-ylbutyl)indole-2,3-dione

1-(4-indol-1-ylbutyl)indole-2,3-dione (PubChem CID 137357540) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-(4-indol-1-ylbutyl)indole-2,3-dione.

Molecular Properties

Compound Name1-(4-indol-1-ylbutyl)indole-2,3-dione
PubChem CID137357540
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name1-(4-indol-1-ylbutyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCCCn2ccc3ccccc32)c2ccccc21
InChIInChI=1S/C20H18N2O2/c23-19-16-8-2-4-10-18(16)22(20(19)24)13-6-5-12-21-14-11-15-7-1-3-9-17(15)21/h1-4,7-11,14H,5-6,12-13H2
InChIKeyIPYLFPCDUIISQW-UHFFFAOYSA-N
XLogP3.65
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-indol-1-ylbutyl)indole-2,3-dione?
The IUPAC name of 1-(4-indol-1-ylbutyl)indole-2,3-dione (CID 137357540) is 1-(4-indol-1-ylbutyl)indole-2,3-dione.
What is the SMILES notation for 1-(4-indol-1-ylbutyl)indole-2,3-dione?
The canonical SMILES for 1-(4-indol-1-ylbutyl)indole-2,3-dione is O=C1C(=O)N(CCCCn2ccc3ccccc32)c2ccccc21.
What is the InChIKey of 1-(4-indol-1-ylbutyl)indole-2,3-dione?
The InChIKey is IPYLFPCDUIISQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c23-19-16-8-2-4-10-18(16)22(20(19)24)13-6-5-12-21-14-11-15-7-1-3-9-17(15)21/h1-4,7-11,14H,5-6,12-13H2.
What are the key properties of 1-(4-indol-1-ylbutyl)indole-2,3-dione?
1-(4-indol-1-ylbutyl)indole-2,3-dione has a molecular weight of 318.38 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-indol-1-ylbutyl)indole-2,3-dione is sourced from PubChem (CID 137357540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).