oxidanium;azane;cyclobutane-1,1-dicarboxylate;platinum(2+)

C6H12NO5Pt+ — CID 178184441

IUPACoxidanium;azane;cyclobutane-1,1-dicarboxylate;platinum(2+)
SMILESN.O=C([O-])C1(C(=O)[O-])CCC1.[OH3+].[Pt+2]
InChIInChI=1S/C6H8O4.H3N.H2O.Pt/c7-4(8)6(5(9)10)2-1-3-6;;;/h1-3H2,(H,7,8)(H,9,10);1H3;1H2;/q;;;+2/p-1
InChIKeyZYYPUFVCYPVWFI-UHFFFAOYSA-M
MW373.24 g/mol
LogP-3.11
Rot. Bonds2

About oxidanium;azane;cyclobutane-1,1-dicarboxylate;platinum(2+)

oxidanium;azane;cyclobutane-1,1-dicarboxylate;platinum(2+) (PubChem CID 178184441) has the molecular formula C6H12NO5Pt+ and a molecular weight of 373.24 g/mol. Its IUPAC name is oxidanium;azane;cyclobutane-1,1-dicarboxylate;platinum(2+).

Molecular Properties

Compound Nameoxidanium;azane;cyclobutane-1,1-dicarboxylate;platinum(2+)
PubChem CID178184441
Molecular FormulaC6H12NO5Pt+
Molecular Weight373.24 g/mol
Exact Mass373.04
IUPAC Nameoxidanium;azane;cyclobutane-1,1-dicarboxylate;platinum(2+)
SMILESN.O=C([O-])C1(C(=O)[O-])CCC1.[OH3+].[Pt+2]
InChIInChI=1S/C6H8O4.H3N.H2O.Pt/c7-4(8)6(5(9)10)2-1-3-6;;;/h1-3H2,(H,7,8)(H,9,10);1H3;1H2;/q;;;+2/p-1
InChIKeyZYYPUFVCYPVWFI-UHFFFAOYSA-M
XLogP-3.11
TPSA148.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 5-3.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

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CID 10301374
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CID 161294264
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CID 161144544
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CID 70539849

Frequently Asked Questions

What is the IUPAC name of oxidanium;azane;cyclobutane-1,1-dicarboxylate;platinum(2+)?
The IUPAC name of oxidanium;azane;cyclobutane-1,1-dicarboxylate;platinum(2+) (CID 178184441) is oxidanium;azane;cyclobutane-1,1-dicarboxylate;platinum(2+).
What is the SMILES notation for oxidanium;azane;cyclobutane-1,1-dicarboxylate;platinum(2+)?
The canonical SMILES for oxidanium;azane;cyclobutane-1,1-dicarboxylate;platinum(2+) is N.O=C([O-])C1(C(=O)[O-])CCC1.[OH3+].[Pt+2].
What is the InChIKey of oxidanium;azane;cyclobutane-1,1-dicarboxylate;platinum(2+)?
The InChIKey is ZYYPUFVCYPVWFI-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8O4.H3N.H2O.Pt/c7-4(8)6(5(9)10)2-1-3-6;;;/h1-3H2,(H,7,8)(H,9,10);1H3;1H2;/q;;;+2/p-1.
What are the key properties of oxidanium;azane;cyclobutane-1,1-dicarboxylate;platinum(2+)?
oxidanium;azane;cyclobutane-1,1-dicarboxylate;platinum(2+) has a molecular weight of 373.24 g/mol, XLogP of -3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxidanium;azane;cyclobutane-1,1-dicarboxylate;platinum(2+) is sourced from PubChem (CID 178184441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).