azanide;iridium;2-methylprop-2-enoyloxyazanide

C4H8IrN2O2-2 — CID 87502802

IUPACazanide;iridium;2-methylprop-2-enoyloxyazanide
SMILESC=C(C)C(=O)O[NH-].[Ir].[NH2-]
InChIInChI=1S/C4H6NO2.Ir.H2N/c1-3(2)4(6)7-5;;/h5H,1H2,2H3;;1H2/q-1;;-1
InChIKeyIBPITWWJQUVPIC-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.79
Rot. Bonds1

About azanide;iridium;2-methylprop-2-enoyloxyazanide

azanide;iridium;2-methylprop-2-enoyloxyazanide (PubChem CID 87502802) has the molecular formula C4H8IrN2O2-2 and a molecular weight of 308.34 g/mol. Its IUPAC name is azanide;iridium;2-methylprop-2-enoyloxyazanide.

Molecular Properties

Compound Nameazanide;iridium;2-methylprop-2-enoyloxyazanide
PubChem CID87502802
Molecular FormulaC4H8IrN2O2-2
Molecular Weight308.34 g/mol
Exact Mass309.02
IUPAC Nameazanide;iridium;2-methylprop-2-enoyloxyazanide
SMILESC=C(C)C(=O)O[NH-].[Ir].[NH2-]
InChIInChI=1S/C4H6NO2.Ir.H2N/c1-3(2)4(6)7-5;;/h5H,1H2,2H3;;1H2/q-1;;-1
InChIKeyIBPITWWJQUVPIC-UHFFFAOYSA-N
XLogP1.79
TPSA83.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
bis(2-methylprop-2-enoyloxy)-oxophosphanium
CID 87559559
methane;bis(methyl 2-methylprop-2-enoate)
CID 159008219
methyl 2-methylprop-2-enoate;nickel
CID 88732958
methyl 2-methylprop-2-enoate;propan-2-one
CID 18939878
methyl 2-methylprop-2-enoate;polane
CID 173074189
methyl 2-methylprop-2-enoate;phosphane
CID 158704529
prop-1-en-2-yl 2-methylprop-2-enoate;silane
CID 173354947
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239
azane;ethane;bis(methyl 2-methylprop-2-enoate)
CID 173203662
propan-2-yl 2-methylprop-2-enoate
CID 146421311
prop-1-en-2-yl 2-methylprop-2-eneperoxoate
CID 175421471

Frequently Asked Questions

What is the IUPAC name of azanide;iridium;2-methylprop-2-enoyloxyazanide?
The IUPAC name of azanide;iridium;2-methylprop-2-enoyloxyazanide (CID 87502802) is azanide;iridium;2-methylprop-2-enoyloxyazanide.
What is the SMILES notation for azanide;iridium;2-methylprop-2-enoyloxyazanide?
The canonical SMILES for azanide;iridium;2-methylprop-2-enoyloxyazanide is C=C(C)C(=O)O[NH-].[Ir].[NH2-].
What is the InChIKey of azanide;iridium;2-methylprop-2-enoyloxyazanide?
The InChIKey is IBPITWWJQUVPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6NO2.Ir.H2N/c1-3(2)4(6)7-5;;/h5H,1H2,2H3;;1H2/q-1;;-1.
What are the key properties of azanide;iridium;2-methylprop-2-enoyloxyazanide?
azanide;iridium;2-methylprop-2-enoyloxyazanide has a molecular weight of 308.34 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;iridium;2-methylprop-2-enoyloxyazanide is sourced from PubChem (CID 87502802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).