copper bis(3-(oxidoamino)indol-2-one)

C16H10CuN4O4 — CID 6712942

IUPACcopper bis(3-(oxidoamino)indol-2-one)
SMILESO=C1N=c2ccccc2=C1N[O-].O=C1N=c2ccccc2=C1N[O-].[Cu+2]
InChIInChI=1S/2C8H5N2O2.Cu/c2*11-8-7(10-12)5-3-1-2-4-6(5)9-8;/h2*1-4H,(H-,9,10,11,12);/q2*-1;+2
InChIKeyVUPPZUPEILWGAG-UHFFFAOYSA-N
MW385.83 g/mol
LogP-1.92
Rot. Bonds2

About copper bis(3-(oxidoamino)indol-2-one)

copper bis(3-(oxidoamino)indol-2-one) (PubChem CID 6712942) has the molecular formula C16H10CuN4O4 and a molecular weight of 385.83 g/mol. Its IUPAC name is copper bis(3-(oxidoamino)indol-2-one).

Molecular Properties

Compound Namecopper bis(3-(oxidoamino)indol-2-one)
PubChem CID6712942
Molecular FormulaC16H10CuN4O4
Molecular Weight385.83 g/mol
Exact Mass385.00
IUPAC Namecopper bis(3-(oxidoamino)indol-2-one)
SMILESO=C1N=c2ccccc2=C1N[O-].O=C1N=c2ccccc2=C1N[O-].[Cu+2]
InChIInChI=1S/2C8H5N2O2.Cu/c2*11-8-7(10-12)5-3-1-2-4-6(5)9-8;/h2*1-4H,(H-,9,10,11,12);/q2*-1;+2
InChIKeyVUPPZUPEILWGAG-UHFFFAOYSA-N
XLogP-1.92
TPSA129.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 5-1.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

copper;bis(3-(hydroxyamino)indol-2-one)
CID 5473478
3-methoxyindol-2-one
CID 141311287
3-(1-chloro-2-fluoroethyl)indol-2-one
CID 175017063
3-[4-(trifluoromethyl)phenyl]indol-2-one
CID 142783918
4-(2-oxoindol-3-yl)benzoic acid
CID 175545285
3-[(4-hydroxyphenyl)diazenyl]indol-2-one
CID 137203331
(4aZ,6E,10aZ,12E)-6,12-dichlorobenzo[c][1,5]benzodiazocine
CID 15961548
8,10,23,25-tetrazapentacyclo[24.4.0.02,7.011,16.017,22]triaconta-1,3,5,7,10,12,14,16,18,20,22,25,27,29-tetradecaene-9,24-dithione
CID 85284439
3-(1H-pyrrole-2-carbonyl)indol-2-one
CID 70386379
(2S)-2-amino-3-(2-oxoindol-3-yl)propanoic acid
CID 121438025
3-[[5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]amino]indol-2-one
CID 3576922
3-(2,3,3a,4-tetrahydroindol-1-yl)indol-2-one
CID 154295670

Frequently Asked Questions

What is the IUPAC name of copper bis(3-(oxidoamino)indol-2-one)?
The IUPAC name of copper bis(3-(oxidoamino)indol-2-one) (CID 6712942) is copper bis(3-(oxidoamino)indol-2-one).
What is the SMILES notation for copper bis(3-(oxidoamino)indol-2-one)?
The canonical SMILES for copper bis(3-(oxidoamino)indol-2-one) is O=C1N=c2ccccc2=C1N[O-].O=C1N=c2ccccc2=C1N[O-].[Cu+2].
What is the InChIKey of copper bis(3-(oxidoamino)indol-2-one)?
The InChIKey is VUPPZUPEILWGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H5N2O2.Cu/c2*11-8-7(10-12)5-3-1-2-4-6(5)9-8;/h2*1-4H,(H-,9,10,11,12);/q2*-1;+2.
What are the key properties of copper bis(3-(oxidoamino)indol-2-one)?
copper bis(3-(oxidoamino)indol-2-one) has a molecular weight of 385.83 g/mol, XLogP of -1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(3-(oxidoamino)indol-2-one) is sourced from PubChem (CID 6712942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).