diiodovanadium;1-[2-(3-phenylbutyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone;triiodovanadium

C18H26I5N2OV2 — CID 162027524

About diiodovanadium;1-[2-(3-phenylbutyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone;triiodovanadium

diiodovanadium;1-[2-(3-phenylbutyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone;triiodovanadium (PubChem CID 162027524) has the molecular formula C18H26I5N2OV2 and a molecular weight of 1022.83 g/mol. Its IUPAC name is diiodovanadium;1-[2-(3-phenylbutyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone;triiodovanadium.

Molecular Properties

• Compound Name: diiodovanadium;1-[2-(3-phenylbutyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone;triiodovanadium
• PubChem CID: 162027524
• Molecular Formula: C18H26I5N2OV2
• Molecular Weight: 1022.83 g/mol
• Exact Mass: 1022.61
• IUPAC Name: diiodovanadium;1-[2-(3-phenylbutyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone;triiodovanadium
• SMILES: CC(=O)N1CC2CN(CCC(C)c3ccccc3)CC2C1.I[V](I)I.I[V]I
• InChI: InChI=1S/C18H26N2O.5HI.2V/c1-14(16-6-4-3-5-7-16)8-9-19-10-17-12-20(15(2)21)13-18(17)11-19;;;;;;;/h3-7,14,17-18H,8-13H2,1-2H3;5*1H;;/q;;;;;;+2;+3/p-5
• InChIKey: YVOSPUHJSHJZLY-UHFFFAOYSA-I
• XLogP: 7.01
• TPSA: 23.55 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1022.83
LogP ≤ 5	7.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of diiodovanadium;1-[2-(3-phenylbutyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone;triiodovanadium?

The IUPAC name of diiodovanadium;1-[2-(3-phenylbutyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone;triiodovanadium (CID 162027524) is diiodovanadium;1-[2-(3-phenylbutyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone;triiodovanadium.

What is the SMILES notation for diiodovanadium;1-[2-(3-phenylbutyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone;triiodovanadium?

The canonical SMILES for diiodovanadium;1-[2-(3-phenylbutyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone;triiodovanadium is CC(=O)N1CC2CN(CCC(C)c3ccccc3)CC2C1.I[V](I)I.I[V]I.

What is the InChIKey of diiodovanadium;1-[2-(3-phenylbutyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone;triiodovanadium?

The InChIKey is YVOSPUHJSHJZLY-UHFFFAOYSA-I. The full InChI is InChI=1S/C18H26N2O.5HI.2V/c1-14(16-6-4-3-5-7-16)8-9-19-10-17-12-20(15(2)21)13-18(17)11-19;;;;;;;/h3-7,14,17-18H,8-13H2,1-2H3;5*1H;;/q;;;;;;+2;+3/p-5.

What are the key properties of diiodovanadium;1-[2-(3-phenylbutyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone;triiodovanadium?

diiodovanadium;1-[2-(3-phenylbutyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone;triiodovanadium has a molecular weight of 1022.83 g/mol, XLogP of 7.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for diiodovanadium;1-[2-(3-phenylbutyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone;triiodovanadium is sourced from PubChem (CID 162027524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).