bis(chromium(3+));2-oxo-1,3-dihydroindole-5-carbaldehyde;tris(oxygen(2-))

C9H7Cr2NO5 — CID 158929871

IUPACbis(chromium(3+));2-oxo-1,3-dihydroindole-5-carbaldehyde;tris(oxygen(2-))
SMILESO=Cc1ccc2c(c1)CC(=O)N2.[Cr+3].[Cr+3].[O-2].[O-2].[O-2]
InChIInChI=1S/C9H7NO2.2Cr.3O/c11-5-6-1-2-8-7(3-6)4-9(12)10-8;;;;;/h1-3,5H,4H2,(H,10,12);;;;;/q;2*+3;3*-2
InChIKeyVGBYGIYEDJAIJE-UHFFFAOYSA-N
MW313.15 g/mol
LogP0.63
Rot. Bonds1

About bis(chromium(3+));2-oxo-1,3-dihydroindole-5-carbaldehyde;tris(oxygen(2-))

bis(chromium(3+));2-oxo-1,3-dihydroindole-5-carbaldehyde;tris(oxygen(2-)) (PubChem CID 158929871) has the molecular formula C9H7Cr2NO5 and a molecular weight of 313.15 g/mol. Its IUPAC name is bis(chromium(3+));2-oxo-1,3-dihydroindole-5-carbaldehyde;tris(oxygen(2-)).

Molecular Properties

Compound Namebis(chromium(3+));2-oxo-1,3-dihydroindole-5-carbaldehyde;tris(oxygen(2-))
PubChem CID158929871
Molecular FormulaC9H7Cr2NO5
Molecular Weight313.15 g/mol
Exact Mass312.91
IUPAC Namebis(chromium(3+));2-oxo-1,3-dihydroindole-5-carbaldehyde;tris(oxygen(2-))
SMILESO=Cc1ccc2c(c1)CC(=O)N2.[Cr+3].[Cr+3].[O-2].[O-2].[O-2]
InChIInChI=1S/C9H7NO2.2Cr.3O/c11-5-6-1-2-8-7(3-6)4-9(12)10-8;;;;;/h1-3,5H,4H2,(H,10,12);;;;;/q;2*+3;3*-2
InChIKeyVGBYGIYEDJAIJE-UHFFFAOYSA-N
XLogP0.63
TPSA131.67 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.15
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-oxo-1,3-dihydroindol-5-yl)prop-2-enenitrile
CID 169483632
2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde
CID 116927299
ethane;5-methyl-1,3-dihydroindol-2-one
CID 91234498
2-oxo-1,3,4,5-tetrahydro-1-benzazepine-8-carbaldehyde
CID 23558916
5-(3-aminooxetan-3-yl)-1,3-dihydroindol-2-one
CID 116872639
(2-oxo-1,3-dihydroindol-5-yl)methylazanium
CID 25324745
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
2-oxo-1,3-dihydroindole-5-sulfonyl chloride
CID 4962506
2-oxo-1,3-dihydroindole-5-sulfonyl fluoride
CID 82284625
2-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]acetaldehyde
CID 115223207
5-[2-methyl-1-(methylaminomethylamino)propan-2-yl]-1,3-dihydroindol-2-one
CID 115227485
5-(1-chloro-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 61084779

Frequently Asked Questions

What is the IUPAC name of bis(chromium(3+));2-oxo-1,3-dihydroindole-5-carbaldehyde;tris(oxygen(2-))?
The IUPAC name of bis(chromium(3+));2-oxo-1,3-dihydroindole-5-carbaldehyde;tris(oxygen(2-)) (CID 158929871) is bis(chromium(3+));2-oxo-1,3-dihydroindole-5-carbaldehyde;tris(oxygen(2-)).
What is the SMILES notation for bis(chromium(3+));2-oxo-1,3-dihydroindole-5-carbaldehyde;tris(oxygen(2-))?
The canonical SMILES for bis(chromium(3+));2-oxo-1,3-dihydroindole-5-carbaldehyde;tris(oxygen(2-)) is O=Cc1ccc2c(c1)CC(=O)N2.[Cr+3].[Cr+3].[O-2].[O-2].[O-2].
What is the InChIKey of bis(chromium(3+));2-oxo-1,3-dihydroindole-5-carbaldehyde;tris(oxygen(2-))?
The InChIKey is VGBYGIYEDJAIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2.2Cr.3O/c11-5-6-1-2-8-7(3-6)4-9(12)10-8;;;;;/h1-3,5H,4H2,(H,10,12);;;;;/q;2*+3;3*-2.
What are the key properties of bis(chromium(3+));2-oxo-1,3-dihydroindole-5-carbaldehyde;tris(oxygen(2-))?
bis(chromium(3+));2-oxo-1,3-dihydroindole-5-carbaldehyde;tris(oxygen(2-)) has a molecular weight of 313.15 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(chromium(3+));2-oxo-1,3-dihydroindole-5-carbaldehyde;tris(oxygen(2-)) is sourced from PubChem (CID 158929871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).