carbanide;2-[(3S)-1,1-dihydroxy-3-methylpentan-2-yl]isoindole-1,3-dione;rhodium;rhodium(3+)

C21H38NO4Rh2-4 — CID 135036186

About carbanide;2-[(3S)-1,1-dihydroxy-3-methylpentan-2-yl]isoindole-1,3-dione;rhodium;rhodium(3+)

carbanide;2-[(3S)-1,1-dihydroxy-3-methylpentan-2-yl]isoindole-1,3-dione;rhodium;rhodium(3+) (PubChem CID 135036186) has the molecular formula C21H38NO4Rh2-4 and a molecular weight of 574.35 g/mol. Its IUPAC name is carbanide;2-[(3S)-1,1-dihydroxy-3-methylpentan-2-yl]isoindole-1,3-dione;rhodium;rhodium(3+).

Molecular Properties

• Compound Name: carbanide;2-[(3S)-1,1-dihydroxy-3-methylpentan-2-yl]isoindole-1,3-dione;rhodium;rhodium(3+)
• PubChem CID: 135036186
• Molecular Formula: C21H38NO4Rh2-4
• Molecular Weight: 574.35 g/mol
• Exact Mass: 574.09
• IUPAC Name: carbanide;2-[(3S)-1,1-dihydroxy-3-methylpentan-2-yl]isoindole-1,3-dione;rhodium;rhodium(3+)
• SMILES: CC[C@H](C)C(C(O)O)N1C(=O)c2ccccc2C1=O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Rh+3].[Rh]
• InChI: InChI=1S/C14H17NO4.7CH3.2Rh/c1-3-8(2)11(14(18)19)15-12(16)9-6-4-5-7-10(9)13(15)17;;;;;;;;;/h4-8,11,14,18-19H,3H2,1-2H3;7*1H3;;/q;7*-1;;+3/t8-,11?;;;;;;;;;/m0........./s1
• InChIKey: JWWZJKMDPYSNBQ-CPYQECOHSA-N
• XLogP: 4.16
• TPSA: 77.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.35
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;2-[(3S)-1,1-dihydroxy-3-methylpentan-2-yl]isoindole-1,3-dione;rhodium;rhodium(3+)?

The IUPAC name of carbanide;2-[(3S)-1,1-dihydroxy-3-methylpentan-2-yl]isoindole-1,3-dione;rhodium;rhodium(3+) (CID 135036186) is carbanide;2-[(3S)-1,1-dihydroxy-3-methylpentan-2-yl]isoindole-1,3-dione;rhodium;rhodium(3+).

What is the SMILES notation for carbanide;2-[(3S)-1,1-dihydroxy-3-methylpentan-2-yl]isoindole-1,3-dione;rhodium;rhodium(3+)?

The canonical SMILES for carbanide;2-[(3S)-1,1-dihydroxy-3-methylpentan-2-yl]isoindole-1,3-dione;rhodium;rhodium(3+) is CC[C@H](C)C(C(O)O)N1C(=O)c2ccccc2C1=O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Rh+3].[Rh].

What is the InChIKey of carbanide;2-[(3S)-1,1-dihydroxy-3-methylpentan-2-yl]isoindole-1,3-dione;rhodium;rhodium(3+)?

The InChIKey is JWWZJKMDPYSNBQ-CPYQECOHSA-N. The full InChI is InChI=1S/C14H17NO4.7CH3.2Rh/c1-3-8(2)11(14(18)19)15-12(16)9-6-4-5-7-10(9)13(15)17;;;;;;;;;/h4-8,11,14,18-19H,3H2,1-2H3;7*1H3;;/q;7*-1;;+3/t8-,11?;;;;;;;;;/m0........./s1.

What are the key properties of carbanide;2-[(3S)-1,1-dihydroxy-3-methylpentan-2-yl]isoindole-1,3-dione;rhodium;rhodium(3+)?

carbanide;2-[(3S)-1,1-dihydroxy-3-methylpentan-2-yl]isoindole-1,3-dione;rhodium;rhodium(3+) has a molecular weight of 574.35 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;2-[(3S)-1,1-dihydroxy-3-methylpentan-2-yl]isoindole-1,3-dione;rhodium;rhodium(3+) is sourced from PubChem (CID 135036186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).