bis(acetonitrile);tetrakis((5-methoxycarbonylpyrrolidin-2-ylidene)oxidanium);bis(rhodium(2+))

C28H46N6O12Rh2+8 — CID 500248

IUPACbis(acetonitrile);tetrakis((5-methoxycarbonylpyrrolidin-2-ylidene)oxidanium);bis(rhodium(2+))
SMILESCC#N.CC#N.[H]/[O+]=C1\CCC(C(=O)OC)N1.[H]/[O+]=C1\CCC(C(=O)OC)N1.[H]/[O+]=C1\CCC(C(=O)OC)N1.[H]/[O+]=C1\CCC(C(=O)OC)N1.[Rh+2].[Rh+2]
InChIInChI=1S/4C6H9NO3.2C2H3N.2Rh/c4*1-10-6(9)4-2-3-5(8)7-4;2*1-2-3;;/h4*4H,2-3H2,1H3,(H,7,8);2*1H3;;/q;;;;;;2*+2/p+4
InChIKeyDYRPMVYSFURGAF-UHFFFAOYSA-R
MW864.52 g/mol
LogP-1.29
Rot. Bonds4

About bis(acetonitrile);tetrakis((5-methoxycarbonylpyrrolidin-2-ylidene)oxidanium);bis(rhodium(2+))

bis(acetonitrile);tetrakis((5-methoxycarbonylpyrrolidin-2-ylidene)oxidanium);bis(rhodium(2+)) (PubChem CID 500248) has the molecular formula C28H46N6O12Rh2+8 and a molecular weight of 864.52 g/mol. Its IUPAC name is bis(acetonitrile);tetrakis((5-methoxycarbonylpyrrolidin-2-ylidene)oxidanium);bis(rhodium(2+)).

Molecular Properties

Compound Namebis(acetonitrile);tetrakis((5-methoxycarbonylpyrrolidin-2-ylidene)oxidanium);bis(rhodium(2+))
PubChem CID500248
Molecular FormulaC28H46N6O12Rh2+8
Molecular Weight864.52 g/mol
Exact Mass864.12
IUPAC Namebis(acetonitrile);tetrakis((5-methoxycarbonylpyrrolidin-2-ylidene)oxidanium);bis(rhodium(2+))
SMILESCC#N.CC#N.[H]/[O+]=C1\CCC(C(=O)OC)N1.[H]/[O+]=C1\CCC(C(=O)OC)N1.[H]/[O+]=C1\CCC(C(=O)OC)N1.[H]/[O+]=C1\CCC(C(=O)OC)N1.[Rh+2].[Rh+2]
InChIInChI=1S/4C6H9NO3.2C2H3N.2Rh/c4*1-10-6(9)4-2-3-5(8)7-4;2*1-2-3;;/h4*4H,2-3H2,1H3,(H,7,8);2*1H3;;/q;;;;;;2*+2/p+4
InChIKeyDYRPMVYSFURGAF-UHFFFAOYSA-R
XLogP-1.29
TPSA286.50 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500864.52
LogP ≤ 5-1.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);tetrakis((5-methoxycarbonylpyrrolidin-2-ylidene)oxidanium);bis(rhodium(2+))?
The IUPAC name of bis(acetonitrile);tetrakis((5-methoxycarbonylpyrrolidin-2-ylidene)oxidanium);bis(rhodium(2+)) (CID 500248) is bis(acetonitrile);tetrakis((5-methoxycarbonylpyrrolidin-2-ylidene)oxidanium);bis(rhodium(2+)).
What is the SMILES notation for bis(acetonitrile);tetrakis((5-methoxycarbonylpyrrolidin-2-ylidene)oxidanium);bis(rhodium(2+))?
The canonical SMILES for bis(acetonitrile);tetrakis((5-methoxycarbonylpyrrolidin-2-ylidene)oxidanium);bis(rhodium(2+)) is CC#N.CC#N.[H]/[O+]=C1\CCC(C(=O)OC)N1.[H]/[O+]=C1\CCC(C(=O)OC)N1.[H]/[O+]=C1\CCC(C(=O)OC)N1.[H]/[O+]=C1\CCC(C(=O)OC)N1.[Rh+2].[Rh+2].
What is the InChIKey of bis(acetonitrile);tetrakis((5-methoxycarbonylpyrrolidin-2-ylidene)oxidanium);bis(rhodium(2+))?
The InChIKey is DYRPMVYSFURGAF-UHFFFAOYSA-R. The full InChI is InChI=1S/4C6H9NO3.2C2H3N.2Rh/c4*1-10-6(9)4-2-3-5(8)7-4;2*1-2-3;;/h4*4H,2-3H2,1H3,(H,7,8);2*1H3;;/q;;;;;;2*+2/p+4.
What are the key properties of bis(acetonitrile);tetrakis((5-methoxycarbonylpyrrolidin-2-ylidene)oxidanium);bis(rhodium(2+))?
bis(acetonitrile);tetrakis((5-methoxycarbonylpyrrolidin-2-ylidene)oxidanium);bis(rhodium(2+)) has a molecular weight of 864.52 g/mol, XLogP of -1.29, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);tetrakis((5-methoxycarbonylpyrrolidin-2-ylidene)oxidanium);bis(rhodium(2+)) is sourced from PubChem (CID 500248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).