ethane-1,2-diol;platinum;pyrrolidin-2-one

C6H12NO3Pt- — CID 87222984

IUPACethane-1,2-diol;platinum;pyrrolidin-2-one
SMILESO=C1CCCN1.O[CH-]CO.[Pt]
InChIInChI=1S/C4H7NO.C2H5O2.Pt/c6-4-2-1-3-5-4;3-1-2-4;/h1-3H2,(H,5,6);1,3-4H,2H2;/q;-1;
InChIKeyJPBFQTFVXOHKGJ-UHFFFAOYSA-N
MW341.24 g/mol
LogP-0.59
Rot. Bonds1

About ethane-1,2-diol;platinum;pyrrolidin-2-one

ethane-1,2-diol;platinum;pyrrolidin-2-one (PubChem CID 87222984) has the molecular formula C6H12NO3Pt- and a molecular weight of 341.24 g/mol. Its IUPAC name is ethane-1,2-diol;platinum;pyrrolidin-2-one.

Molecular Properties

Compound Nameethane-1,2-diol;platinum;pyrrolidin-2-one
PubChem CID87222984
Molecular FormulaC6H12NO3Pt-
Molecular Weight341.24 g/mol
Exact Mass341.05
IUPAC Nameethane-1,2-diol;platinum;pyrrolidin-2-one
SMILESO=C1CCCN1.O[CH-]CO.[Pt]
InChIInChI=1S/C4H7NO.C2H5O2.Pt/c6-4-2-1-3-5-4;3-1-2-4;/h1-3H2,(H,5,6);1,3-4H,2H2;/q;-1;
InChIKeyJPBFQTFVXOHKGJ-UHFFFAOYSA-N
XLogP-0.59
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Ethane-1,2-diol;pyrrolidin-2-one
CID 18352436
Ethanol;pyrrolidin-2-one
CID 21872171
2-Aminoethanol;pyrrolidin-2-one
CID 22369699
2-(2-Hydroxyethoxy)ethanol;pyrrolidin-2-one
CID 22610613
Propane-1,2,3-triol;pyrrolidin-2-one
CID 23046607
Ethenol;pyrrolidin-2-one
CID 66747505
Methanol;pyrrolidin-2-one
CID 67031801
Azane;ethane-1,2-diol;pyrrolidin-2-one
CID 67748667
Bis(ethane-1,2-diol);pyrrolidin-2-one
CID 67821909
2-Butoxyethanol;pyrrolidin-2-one
CID 68900014

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;platinum;pyrrolidin-2-one?
The IUPAC name of ethane-1,2-diol;platinum;pyrrolidin-2-one (CID 87222984) is ethane-1,2-diol;platinum;pyrrolidin-2-one.
What is the SMILES notation for ethane-1,2-diol;platinum;pyrrolidin-2-one?
The canonical SMILES for ethane-1,2-diol;platinum;pyrrolidin-2-one is O=C1CCCN1.O[CH-]CO.[Pt].
What is the InChIKey of ethane-1,2-diol;platinum;pyrrolidin-2-one?
The InChIKey is JPBFQTFVXOHKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C2H5O2.Pt/c6-4-2-1-3-5-4;3-1-2-4;/h1-3H2,(H,5,6);1,3-4H,2H2;/q;-1;.
What are the key properties of ethane-1,2-diol;platinum;pyrrolidin-2-one?
ethane-1,2-diol;platinum;pyrrolidin-2-one has a molecular weight of 341.24 g/mol, XLogP of -0.59, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;platinum;pyrrolidin-2-one is sourced from PubChem (CID 87222984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).