4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;[(1R)-2-azanidylcyclohexyl]azanide;platinum(2+)

C13H20N2O4Pt — CID 59852549

IUPAC4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;[(1R)-2-azanidylcyclohexyl]azanide;platinum(2+)
SMILESCC(=O)C1=C(O)C(C)OC1=O.[NH-]C1CCCC[C@H]1[NH-].[Pt+2]
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;+2/t;5-,6?;/m.1./s1
InChIKeyUBGIXJREHHLZET-MJUWCXIKSA-N
MW463.39 g/mol
LogP2.73
Rot. Bonds1

About 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;[(1R)-2-azanidylcyclohexyl]azanide;platinum(2+)

4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;[(1R)-2-azanidylcyclohexyl]azanide;platinum(2+) (PubChem CID 59852549) has the molecular formula C13H20N2O4Pt and a molecular weight of 463.39 g/mol. Its IUPAC name is 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;[(1R)-2-azanidylcyclohexyl]azanide;platinum(2+).

Molecular Properties

Compound Name4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;[(1R)-2-azanidylcyclohexyl]azanide;platinum(2+)
PubChem CID59852549
Molecular FormulaC13H20N2O4Pt
Molecular Weight463.39 g/mol
Exact Mass463.11
IUPAC Name4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;[(1R)-2-azanidylcyclohexyl]azanide;platinum(2+)
SMILESCC(=O)C1=C(O)C(C)OC1=O.[NH-]C1CCCC[C@H]1[NH-].[Pt+2]
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;+2/t;5-,6?;/m.1./s1
InChIKeyUBGIXJREHHLZET-MJUWCXIKSA-N
XLogP2.73
TPSA111.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;[(1R)-2-azanidylcyclohexyl]azanide;platinum(2+) with MolForge

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Launch Full Analysis

Related Compounds

bis((2S)-4-acetyl-2-methyl-5-oxo-2H-furan-3-olate);platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 6918258
bis(4-acetyl-2-methyl-5-oxo-2H-furan-3-olate);[(1R)-2-azanidylcyclohexyl]azanide;platinum(4+)
CID 374013
4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;[(1R,2R)-2-methanidylcyclohexyl]azanide;platinum(2+)
CID 158983442
bis(4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one);(2-azanidylcyclohexyl)azanide;platinum(2+)
CID 162275686
(2S)-4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;(2-azanidylcyclohexyl)azanide;platinum(4+)
CID 172806288
(2S)-4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;cyclohexane-1,2-diamine;platinum(2+)
CID 198800
(2-azanidylcyclohexyl)azanide;1-(2-methyl-5-oxo-3-oxonio-2H-furan-4-yl)ethylideneoxidanium;platinum(4+)
CID 4039121
bis(4-acetyl-2-methyl-5-oxo-2H-furan-3-olate);[(1R)-2-azanidylcyclohexyl]azanide;platinum(4+)
CID 49873557
bis(4-acetyl-2-methyl-5-oxo-2H-furan-3-olate);cyclohexane-1,2-diamine;platinum(2+)
CID 53463867
4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;[(1R)-2-azanidylcyclohexyl]azanide;platinum(4+)
CID 54713773
4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 54716928
(2S)-4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;(2S)-4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;platinum;trans-(1R,2R)-cyclohexane-1,2-diamine
CID 54721273

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;[(1R)-2-azanidylcyclohexyl]azanide;platinum(2+)?
The IUPAC name of 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;[(1R)-2-azanidylcyclohexyl]azanide;platinum(2+) (CID 59852549) is 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;[(1R)-2-azanidylcyclohexyl]azanide;platinum(2+).
What is the SMILES notation for 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;[(1R)-2-azanidylcyclohexyl]azanide;platinum(2+)?
The canonical SMILES for 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;[(1R)-2-azanidylcyclohexyl]azanide;platinum(2+) is CC(=O)C1=C(O)C(C)OC1=O.[NH-]C1CCCC[C@H]1[NH-].[Pt+2].
What is the InChIKey of 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;[(1R)-2-azanidylcyclohexyl]azanide;platinum(2+)?
The InChIKey is UBGIXJREHHLZET-MJUWCXIKSA-N. 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;+2/t;5-,6?;/m.1./s1.
What are the key properties of 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;[(1R)-2-azanidylcyclohexyl]azanide;platinum(2+)?
4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;[(1R)-2-azanidylcyclohexyl]azanide;platinum(2+) has a molecular weight of 463.39 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;[(1R)-2-azanidylcyclohexyl]azanide;platinum(2+) is sourced from PubChem (CID 59852549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).