(2-azanidylcyclohexyl)azanide;1-(2-methyl-5-oxo-3-oxonio-2H-furan-4-yl)ethylideneoxidanium;platinum(4+)

C13H22N2O4Pt+4 — CID 4039121

IUPAC(2-azanidylcyclohexyl)azanide;1-(2-methyl-5-oxo-3-oxonio-2H-furan-4-yl)ethylideneoxidanium;platinum(4+)
SMILES[H]/[O+]=C(\C)C1=C([OH2+])C(C)OC1=O.[NH-]C1CCCCC1[NH-].[Pt+4]
InChIInChI=1S/C7H8O4.C6H12N2.Pt/c1-3(8)5-6(9)4(2)11-7(5)10;7-5-3-1-2-4-6(5)8;/h4,9H,1-2H3;5-8H,1-4H2;/q;-2;+4/p+2
InChIKeyXGUSKWCTNMYKBW-UHFFFAOYSA-P
MW465.41 g/mol
LogP1.87
Rot. Bonds1

About (2-azanidylcyclohexyl)azanide;1-(2-methyl-5-oxo-3-oxonio-2H-furan-4-yl)ethylideneoxidanium;platinum(4+)

(2-azanidylcyclohexyl)azanide;1-(2-methyl-5-oxo-3-oxonio-2H-furan-4-yl)ethylideneoxidanium;platinum(4+) (PubChem CID 4039121) has the molecular formula C13H22N2O4Pt+4 and a molecular weight of 465.41 g/mol. Its IUPAC name is (2-azanidylcyclohexyl)azanide;1-(2-methyl-5-oxo-3-oxonio-2H-furan-4-yl)ethylideneoxidanium;platinum(4+).

Molecular Properties

Compound Name(2-azanidylcyclohexyl)azanide;1-(2-methyl-5-oxo-3-oxonio-2H-furan-4-yl)ethylideneoxidanium;platinum(4+)
PubChem CID4039121
Molecular FormulaC13H22N2O4Pt+4
Molecular Weight465.41 g/mol
Exact Mass465.12
IUPAC Name(2-azanidylcyclohexyl)azanide;1-(2-methyl-5-oxo-3-oxonio-2H-furan-4-yl)ethylideneoxidanium;platinum(4+)
SMILES[H]/[O+]=C(\C)C1=C([OH2+])C(C)OC1=O.[NH-]C1CCCCC1[NH-].[Pt+4]
InChIInChI=1S/C7H8O4.C6H12N2.Pt/c1-3(8)5-6(9)4(2)11-7(5)10;7-5-3-1-2-4-6(5)8;/h4,9H,1-2H3;5-8H,1-4H2;/q;-2;+4/p+2
InChIKeyXGUSKWCTNMYKBW-UHFFFAOYSA-P
XLogP1.87
TPSA118.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.41
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-azanidylcyclohexyl)azanide;1-(2-methyl-5-oxo-3-oxonio-2H-furan-4-yl)ethylideneoxidanium;platinum(4+)?
The IUPAC name of (2-azanidylcyclohexyl)azanide;1-(2-methyl-5-oxo-3-oxonio-2H-furan-4-yl)ethylideneoxidanium;platinum(4+) (CID 4039121) is (2-azanidylcyclohexyl)azanide;1-(2-methyl-5-oxo-3-oxonio-2H-furan-4-yl)ethylideneoxidanium;platinum(4+).
What is the SMILES notation for (2-azanidylcyclohexyl)azanide;1-(2-methyl-5-oxo-3-oxonio-2H-furan-4-yl)ethylideneoxidanium;platinum(4+)?
The canonical SMILES for (2-azanidylcyclohexyl)azanide;1-(2-methyl-5-oxo-3-oxonio-2H-furan-4-yl)ethylideneoxidanium;platinum(4+) is [H]/[O+]=C(\C)C1=C([OH2+])C(C)OC1=O.[NH-]C1CCCCC1[NH-].[Pt+4].
What is the InChIKey of (2-azanidylcyclohexyl)azanide;1-(2-methyl-5-oxo-3-oxonio-2H-furan-4-yl)ethylideneoxidanium;platinum(4+)?
The InChIKey is XGUSKWCTNMYKBW-UHFFFAOYSA-P. The full InChI is InChI=1S/C7H8O4.C6H12N2.Pt/c1-3(8)5-6(9)4(2)11-7(5)10;7-5-3-1-2-4-6(5)8;/h4,9H,1-2H3;5-8H,1-4H2;/q;-2;+4/p+2.
What are the key properties of (2-azanidylcyclohexyl)azanide;1-(2-methyl-5-oxo-3-oxonio-2H-furan-4-yl)ethylideneoxidanium;platinum(4+)?
(2-azanidylcyclohexyl)azanide;1-(2-methyl-5-oxo-3-oxonio-2H-furan-4-yl)ethylideneoxidanium;platinum(4+) has a molecular weight of 465.41 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-azanidylcyclohexyl)azanide;1-(2-methyl-5-oxo-3-oxonio-2H-furan-4-yl)ethylideneoxidanium;platinum(4+) is sourced from PubChem (CID 4039121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).