bis(1H-indole);pyrrole-2,5-dione

C20H17N3O2 — CID 160942395

IUPACbis(1H-indole);pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1
InChIInChI=1S/2C8H7N.C4H3NO2/c2*1-2-4-8-7(3-1)5-6-9-8;6-3-1-2-4(7)5-3/h2*1-6,9H;1-2H,(H,5,6,7)
InChIKeySURBUIJTPHUHMS-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.53
Rot. Bonds

About bis(1H-indole);pyrrole-2,5-dione

bis(1H-indole);pyrrole-2,5-dione (PubChem CID 160942395) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is bis(1H-indole);pyrrole-2,5-dione.

Molecular Properties

Compound Namebis(1H-indole);pyrrole-2,5-dione
PubChem CID160942395
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Namebis(1H-indole);pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1
InChIInChI=1S/2C8H7N.C4H3NO2/c2*1-2-4-8-7(3-1)5-6-9-8;6-3-1-2-4(7)5-3/h2*1-6,9H;1-2H,(H,5,6,7)
InChIKeySURBUIJTPHUHMS-UHFFFAOYSA-N
XLogP3.53
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1H-indole);pyrrole-2,5-dione?
The IUPAC name of bis(1H-indole);pyrrole-2,5-dione (CID 160942395) is bis(1H-indole);pyrrole-2,5-dione.
What is the SMILES notation for bis(1H-indole);pyrrole-2,5-dione?
The canonical SMILES for bis(1H-indole);pyrrole-2,5-dione is O=C1C=CC(=O)N1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.
What is the InChIKey of bis(1H-indole);pyrrole-2,5-dione?
The InChIKey is SURBUIJTPHUHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H7N.C4H3NO2/c2*1-2-4-8-7(3-1)5-6-9-8;6-3-1-2-4(7)5-3/h2*1-6,9H;1-2H,(H,5,6,7).
What are the key properties of bis(1H-indole);pyrrole-2,5-dione?
bis(1H-indole);pyrrole-2,5-dione has a molecular weight of 331.38 g/mol, XLogP of 3.53, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-indole);pyrrole-2,5-dione is sourced from PubChem (CID 160942395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).