copper;1H-indole-2,3-dione

C8H5CuNO2 — CID 70626411

IUPACcopper;1H-indole-2,3-dione
SMILESO=C1Nc2ccccc2C1=O.[Cu]
InChIInChI=1S/C8H5NO2.Cu/c10-7-5-3-1-2-4-6(5)9-8(7)11;/h1-4H,(H,9,10,11);
InChIKeyKVDGCZDMVLEFCQ-UHFFFAOYSA-N
MW210.68 g/mol
LogP0.82
Rot. Bonds

About copper;1H-indole-2,3-dione

copper;1H-indole-2,3-dione (PubChem CID 70626411) has the molecular formula C8H5CuNO2 and a molecular weight of 210.68 g/mol. Its IUPAC name is copper;1H-indole-2,3-dione.

Molecular Properties

Compound Namecopper;1H-indole-2,3-dione
PubChem CID70626411
Molecular FormulaC8H5CuNO2
Molecular Weight210.68 g/mol
Exact Mass209.96
IUPAC Namecopper;1H-indole-2,3-dione
SMILESO=C1Nc2ccccc2C1=O.[Cu]
InChIInChI=1S/C8H5NO2.Cu/c10-7-5-3-1-2-4-6(5)9-8(7)11;/h1-4H,(H,9,10,11);
InChIKeyKVDGCZDMVLEFCQ-UHFFFAOYSA-N
XLogP0.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.68
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper;1H-indole-2,3-dione?
The IUPAC name of copper;1H-indole-2,3-dione (CID 70626411) is copper;1H-indole-2,3-dione.
What is the SMILES notation for copper;1H-indole-2,3-dione?
The canonical SMILES for copper;1H-indole-2,3-dione is O=C1Nc2ccccc2C1=O.[Cu].
What is the InChIKey of copper;1H-indole-2,3-dione?
The InChIKey is KVDGCZDMVLEFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2.Cu/c10-7-5-3-1-2-4-6(5)9-8(7)11;/h1-4H,(H,9,10,11);.
What are the key properties of copper;1H-indole-2,3-dione?
copper;1H-indole-2,3-dione has a molecular weight of 210.68 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;1H-indole-2,3-dione is sourced from PubChem (CID 70626411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).