azanide;iridium;2-methylbutanoyloxyazanide

C5H12IrN2O2-2 — CID 88828500

IUPACazanide;iridium;2-methylbutanoyloxyazanide
SMILESCCC(C)C(=O)O[NH-].[Ir].[NH2-]
InChIInChI=1S/C5H10NO2.Ir.H2N/c1-3-4(2)5(7)8-6;;/h4,6H,3H2,1-2H3;;1H2/q-1;;-1
InChIKeyRZFHEBMBJIBJTK-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.26
Rot. Bonds2

About azanide;iridium;2-methylbutanoyloxyazanide

azanide;iridium;2-methylbutanoyloxyazanide (PubChem CID 88828500) has the molecular formula C5H12IrN2O2-2 and a molecular weight of 324.38 g/mol. Its IUPAC name is azanide;iridium;2-methylbutanoyloxyazanide.

Molecular Properties

Compound Nameazanide;iridium;2-methylbutanoyloxyazanide
PubChem CID88828500
Molecular FormulaC5H12IrN2O2-2
Molecular Weight324.38 g/mol
Exact Mass325.05
IUPAC Nameazanide;iridium;2-methylbutanoyloxyazanide
SMILESCCC(C)C(=O)O[NH-].[Ir].[NH2-]
InChIInChI=1S/C5H10NO2.Ir.H2N/c1-3-4(2)5(7)8-6;;/h4,6H,3H2,1-2H3;;1H2/q-1;;-1
InChIKeyRZFHEBMBJIBJTK-UHFFFAOYSA-N
XLogP2.26
TPSA83.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylbutanoyloxymethyl 2-methylbutanoate
CID 20789926
ethane;ethyl 2-methylbutanoate
CID 144747106
ethane;methyl (2R)-2-methylbutanoate
CID 143689114
propyl (2R)-2-methylbutanoate
CID 86306230
3-methylpentyl 2-methylbutanoate
CID 3019319
CID 173066748
CID 173066748
methyl 2-methylbutanoate;methyl 2-methylpropanoate
CID 175395072
isocyanomethyl 2-methylbutanoate
CID 59266759
2-methylpentan-3-yl 2-methylbutanoate
CID 118880075
methane;2-methoxyethyl 2-methylbutanoate
CID 165084023
methylsilylmethyl 2-methylbutanoate
CID 159920193
3-oxobutan-2-yl 2-methylbutanoate
CID 59653814

Frequently Asked Questions

What is the IUPAC name of azanide;iridium;2-methylbutanoyloxyazanide?
The IUPAC name of azanide;iridium;2-methylbutanoyloxyazanide (CID 88828500) is azanide;iridium;2-methylbutanoyloxyazanide.
What is the SMILES notation for azanide;iridium;2-methylbutanoyloxyazanide?
The canonical SMILES for azanide;iridium;2-methylbutanoyloxyazanide is CCC(C)C(=O)O[NH-].[Ir].[NH2-].
What is the InChIKey of azanide;iridium;2-methylbutanoyloxyazanide?
The InChIKey is RZFHEBMBJIBJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO2.Ir.H2N/c1-3-4(2)5(7)8-6;;/h4,6H,3H2,1-2H3;;1H2/q-1;;-1.
What are the key properties of azanide;iridium;2-methylbutanoyloxyazanide?
azanide;iridium;2-methylbutanoyloxyazanide has a molecular weight of 324.38 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;iridium;2-methylbutanoyloxyazanide is sourced from PubChem (CID 88828500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).