tetrakis(methyl (2R)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+))

C24H32N4O12Rh2 — CID 15258146

IUPACtetrakis(methyl (2R)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+))
SMILESCOC(=O)[C@H]1CCC(=O)[N-]1.COC(=O)[C@H]1CCC(=O)[N-]1.COC(=O)[C@H]1CCC(=O)[N-]1.COC(=O)[C@H]1CCC(=O)[N-]1.[Rh+2].[Rh+2]
InChIInChI=1S/4C6H9NO3.2Rh/c4*1-10-6(9)4-2-3-5(8)7-4;;/h4*4H,2-3H2,1H3,(H,7,8);;/q;;;;2*+2/p-4/t4*4-;;/m1111../s1
InChIKeyBJHLPXCDLYHGIN-WTODAKLXSA-J
MW774.35 g/mol
LogP0.88
Rot. Bonds4

About tetrakis(methyl (2R)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+))

tetrakis(methyl (2R)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+)) (PubChem CID 15258146) has the molecular formula C24H32N4O12Rh2 and a molecular weight of 774.35 g/mol. Its IUPAC name is tetrakis(methyl (2R)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+)).

Molecular Properties

Compound Nametetrakis(methyl (2R)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+))
PubChem CID15258146
Molecular FormulaC24H32N4O12Rh2
Molecular Weight774.35 g/mol
Exact Mass774.01
IUPAC Nametetrakis(methyl (2R)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+))
SMILESCOC(=O)[C@H]1CCC(=O)[N-]1.COC(=O)[C@H]1CCC(=O)[N-]1.COC(=O)[C@H]1CCC(=O)[N-]1.COC(=O)[C@H]1CCC(=O)[N-]1.[Rh+2].[Rh+2]
InChIInChI=1S/4C6H9NO3.2Rh/c4*1-10-6(9)4-2-3-5(8)7-4;;/h4*4H,2-3H2,1H3,(H,7,8);;/q;;;;2*+2/p-4/t4*4-;;/m1111../s1
InChIKeyBJHLPXCDLYHGIN-WTODAKLXSA-J
XLogP0.88
TPSA229.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.35
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze tetrakis(methyl (2R)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+)) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tetrakis(methyl (2R)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+))?
The IUPAC name of tetrakis(methyl (2R)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+)) (CID 15258146) is tetrakis(methyl (2R)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+)).
What is the SMILES notation for tetrakis(methyl (2R)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+))?
The canonical SMILES for tetrakis(methyl (2R)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+)) is COC(=O)[C@H]1CCC(=O)[N-]1.COC(=O)[C@H]1CCC(=O)[N-]1.COC(=O)[C@H]1CCC(=O)[N-]1.COC(=O)[C@H]1CCC(=O)[N-]1.[Rh+2].[Rh+2].
What is the InChIKey of tetrakis(methyl (2R)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+))?
The InChIKey is BJHLPXCDLYHGIN-WTODAKLXSA-J. The full InChI is InChI=1S/4C6H9NO3.2Rh/c4*1-10-6(9)4-2-3-5(8)7-4;;/h4*4H,2-3H2,1H3,(H,7,8);;/q;;;;2*+2/p-4/t4*4-;;/m1111../s1.
What are the key properties of tetrakis(methyl (2R)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+))?
tetrakis(methyl (2R)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+)) has a molecular weight of 774.35 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(methyl (2R)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+)) is sourced from PubChem (CID 15258146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).