tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)propanoate);bis(rhodium(2+))

C44H32N4O16Rh2 — CID 56647031

IUPACtetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)propanoate);bis(rhodium(2+))
SMILESC[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O.C[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O.C[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O.C[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O.[Rh+2].[Rh+2]
InChIInChI=1S/4C11H9NO4.2Rh/c4*1-6(11(15)16)12-9(13)7-4-2-3-5-8(7)10(12)14;;/h4*2-6H,1H3,(H,15,16);;/q;;;;2*+2/p-4/t4*6-;;/m0000../s1
InChIKeyCWOXIJMLZYHKRA-FXSYQKBJSA-J
MW1078.56 g/mol
LogP-2.32
Rot. Bonds8

About tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)propanoate);bis(rhodium(2+))

tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)propanoate);bis(rhodium(2+)) (PubChem CID 56647031) has the molecular formula C44H32N4O16Rh2 and a molecular weight of 1078.56 g/mol. Its IUPAC name is tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)propanoate);bis(rhodium(2+)).

Molecular Properties

Compound Nametetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)propanoate);bis(rhodium(2+))
PubChem CID56647031
Molecular FormulaC44H32N4O16Rh2
Molecular Weight1078.56 g/mol
Exact Mass1077.99
IUPAC Nametetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)propanoate);bis(rhodium(2+))
SMILESC[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O.C[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O.C[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O.C[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O.[Rh+2].[Rh+2]
InChIInChI=1S/4C11H9NO4.2Rh/c4*1-6(11(15)16)12-9(13)7-4-2-3-5-8(7)10(12)14;;/h4*2-6H,1H3,(H,15,16);;/q;;;;2*+2/p-4/t4*6-;;/m0000../s1
InChIKeyCWOXIJMLZYHKRA-FXSYQKBJSA-J
XLogP-2.32
TPSA310.04 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001078.56
LogP ≤ 5-2.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Related Compounds

potassium 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 19205374
2-(3-oxobutan-2-yl)isoindole-1,3-dione
CID 12910747
sodium 2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 19205516
2-(4,4-dichloro-3-oxobutan-2-yl)isoindole-1,3-dione
CID 18704328
2-(1,3-dioxoisoindol-2-yl)propanehydrazide
CID 23761283
propan-2-yl 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 75674147
(2R)-2-(1,3-dioxoisoindol-2-yl)propanethioamide
CID 833261
sodium 2-(5-nitro-1,3-dioxoisoindol-2-yl)propanoate
CID 24940940
4-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate
CID 4523065
(2S)-2-(1,3-dioxoisoindol-2-yl)-2-phenylacetate
CID 6948636
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpropanamide
CID 15518686

Frequently Asked Questions

What is the IUPAC name of tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)propanoate);bis(rhodium(2+))?
The IUPAC name of tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)propanoate);bis(rhodium(2+)) (CID 56647031) is tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)propanoate);bis(rhodium(2+)).
What is the SMILES notation for tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)propanoate);bis(rhodium(2+))?
The canonical SMILES for tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)propanoate);bis(rhodium(2+)) is C[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O.C[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O.C[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O.C[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O.[Rh+2].[Rh+2].
What is the InChIKey of tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)propanoate);bis(rhodium(2+))?
The InChIKey is CWOXIJMLZYHKRA-FXSYQKBJSA-J. The full InChI is InChI=1S/4C11H9NO4.2Rh/c4*1-6(11(15)16)12-9(13)7-4-2-3-5-8(7)10(12)14;;/h4*2-6H,1H3,(H,15,16);;/q;;;;2*+2/p-4/t4*6-;;/m0000../s1.
What are the key properties of tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)propanoate);bis(rhodium(2+))?
tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)propanoate);bis(rhodium(2+)) has a molecular weight of 1078.56 g/mol, XLogP of -2.32, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)propanoate);bis(rhodium(2+)) is sourced from PubChem (CID 56647031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).