4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine

C13H22N2O4Pt+2 — CID 54716928

IUPAC4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
SMILESCC(=O)C1=C(O)C(C)OC1=O.N[C@@H]1CCCC[C@H]1N.[Pt+2]
InChIInChI=1S/C7H8O4.C6H14N2.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;5-6H,1-4,7-8H2;/q;;+2/t;5-,6-;/m.1./s1
InChIKeyFCHRLSFBURDVAF-JGHXHLRYSA-N
MW465.41 g/mol
LogP0.55
Rot. Bonds1

About 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine

4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine (PubChem CID 54716928) has the molecular formula C13H22N2O4Pt+2 and a molecular weight of 465.41 g/mol. Its IUPAC name is 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine.

Molecular Properties

Compound Name4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
PubChem CID54716928
Molecular FormulaC13H22N2O4Pt+2
Molecular Weight465.41 g/mol
Exact Mass465.12
IUPAC Name4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
SMILESCC(=O)C1=C(O)C(C)OC1=O.N[C@@H]1CCCC[C@H]1N.[Pt+2]
InChIInChI=1S/C7H8O4.C6H14N2.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;5-6H,1-4,7-8H2;/q;;+2/t;5-,6-;/m.1./s1
InChIKeyFCHRLSFBURDVAF-JGHXHLRYSA-N
XLogP0.55
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.41
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine 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
4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;[(1R)-2-azanidylcyclohexyl]azanide;platinum(2+)
CID 59852549
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
(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
(2-azanidylcyclohexyl)azanide;1-(2-methyl-5-oxo-3-oxonio-2H-furan-4-yl)ethylideneoxidanium;platinum(4+)
CID 54735706
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 54735953

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine?
The IUPAC name of 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine (CID 54716928) is 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine.
What is the SMILES notation for 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine?
The canonical SMILES for 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine is CC(=O)C1=C(O)C(C)OC1=O.N[C@@H]1CCCC[C@H]1N.[Pt+2].
What is the InChIKey of 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine?
The InChIKey is FCHRLSFBURDVAF-JGHXHLRYSA-N. The full InChI is InChI=1S/C7H8O4.C6H14N2.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;5-6H,1-4,7-8H2;/q;;+2/t;5-,6-;/m.1./s1.
What are the key properties of 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine?
4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine has a molecular weight of 465.41 g/mol, XLogP of 0.55, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine is sourced from PubChem (CID 54716928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).