pyrrolidine-2,5-dione;sulfanylidenemolybdenum

C4H5MoNO2S — CID 158754348

IUPACpyrrolidine-2,5-dione;sulfanylidenemolybdenum
SMILESO=C1CCC(=O)N1.S=[Mo]
InChIInChI=1S/C4H5NO2.Mo.S/c6-3-1-2-4(7)5-3;;/h1-2H2,(H,5,6,7);;
InChIKeyINWJLZUHSKZRBZ-UHFFFAOYSA-N
MW227.10 g/mol
LogP0.07
Rot. Bonds

About pyrrolidine-2,5-dione;sulfanylidenemolybdenum

pyrrolidine-2,5-dione;sulfanylidenemolybdenum (PubChem CID 158754348) has the molecular formula C4H5MoNO2S and a molecular weight of 227.10 g/mol. Its IUPAC name is pyrrolidine-2,5-dione;sulfanylidenemolybdenum.

Molecular Properties

Compound Namepyrrolidine-2,5-dione;sulfanylidenemolybdenum
PubChem CID158754348
Molecular FormulaC4H5MoNO2S
Molecular Weight227.10 g/mol
Exact Mass228.91
IUPAC Namepyrrolidine-2,5-dione;sulfanylidenemolybdenum
SMILESO=C1CCC(=O)N1.S=[Mo]
InChIInChI=1S/C4H5NO2.Mo.S/c6-3-1-2-4(7)5-3;;/h1-2H2,(H,5,6,7);;
InChIKeyINWJLZUHSKZRBZ-UHFFFAOYSA-N
XLogP0.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pyrrolidine-2,5-dione;sulfanylidenemolybdenum?
The IUPAC name of pyrrolidine-2,5-dione;sulfanylidenemolybdenum (CID 158754348) is pyrrolidine-2,5-dione;sulfanylidenemolybdenum.
What is the SMILES notation for pyrrolidine-2,5-dione;sulfanylidenemolybdenum?
The canonical SMILES for pyrrolidine-2,5-dione;sulfanylidenemolybdenum is O=C1CCC(=O)N1.S=[Mo].
What is the InChIKey of pyrrolidine-2,5-dione;sulfanylidenemolybdenum?
The InChIKey is INWJLZUHSKZRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2.Mo.S/c6-3-1-2-4(7)5-3;;/h1-2H2,(H,5,6,7);;.
What are the key properties of pyrrolidine-2,5-dione;sulfanylidenemolybdenum?
pyrrolidine-2,5-dione;sulfanylidenemolybdenum has a molecular weight of 227.10 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidine-2,5-dione;sulfanylidenemolybdenum is sourced from PubChem (CID 158754348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).