2,3,5,9,10,10a-hexahydroimidazo[1,2-b]isoquinoline-1,9-diide;bis(vanadium)

C11H12N2V2-2 — CID 58106705

IUPAC2,3,5,9,10,10a-hexahydroimidazo[1,2-b]isoquinoline-1,9-diide;bis(vanadium)
SMILES[V].[V].[c-]1cccc2c1CC1[N-]CCN1C2
InChIInChI=1S/C11H12N2.2V/c1-2-4-10-8-13-6-5-12-11(13)7-9(10)3-1;;/h1-2,4,11H,5-8H2;;/q-2;;
InChIKeyYOYBAQVUEXSXOW-UHFFFAOYSA-N
MW274.12 g/mol
LogP1.55
Rot. Bonds

About 2,3,5,9,10,10a-hexahydroimidazo[1,2-b]isoquinoline-1,9-diide;bis(vanadium)

2,3,5,9,10,10a-hexahydroimidazo[1,2-b]isoquinoline-1,9-diide;bis(vanadium) (PubChem CID 58106705) has the molecular formula C11H12N2V2-2 and a molecular weight of 274.12 g/mol. Its IUPAC name is 2,3,5,9,10,10a-hexahydroimidazo[1,2-b]isoquinoline-1,9-diide;bis(vanadium).

Molecular Properties

Compound Name2,3,5,9,10,10a-hexahydroimidazo[1,2-b]isoquinoline-1,9-diide;bis(vanadium)
PubChem CID58106705
Molecular FormulaC11H12N2V2-2
Molecular Weight274.12 g/mol
Exact Mass273.99
IUPAC Name2,3,5,9,10,10a-hexahydroimidazo[1,2-b]isoquinoline-1,9-diide;bis(vanadium)
SMILES[V].[V].[c-]1cccc2c1CC1[N-]CCN1C2
InChIInChI=1S/C11H12N2.2V/c1-2-4-10-8-13-6-5-12-11(13)7-9(10)3-1;;/h1-2,4,11H,5-8H2;;/q-2;;
InChIKeyYOYBAQVUEXSXOW-UHFFFAOYSA-N
XLogP1.55
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,9,10,10a-hexahydroimidazo[1,2-b]isoquinoline-1,9-diide;bis(vanadium)?
The IUPAC name of 2,3,5,9,10,10a-hexahydroimidazo[1,2-b]isoquinoline-1,9-diide;bis(vanadium) (CID 58106705) is 2,3,5,9,10,10a-hexahydroimidazo[1,2-b]isoquinoline-1,9-diide;bis(vanadium).
What is the SMILES notation for 2,3,5,9,10,10a-hexahydroimidazo[1,2-b]isoquinoline-1,9-diide;bis(vanadium)?
The canonical SMILES for 2,3,5,9,10,10a-hexahydroimidazo[1,2-b]isoquinoline-1,9-diide;bis(vanadium) is [V].[V].[c-]1cccc2c1CC1[N-]CCN1C2.
What is the InChIKey of 2,3,5,9,10,10a-hexahydroimidazo[1,2-b]isoquinoline-1,9-diide;bis(vanadium)?
The InChIKey is YOYBAQVUEXSXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.2V/c1-2-4-10-8-13-6-5-12-11(13)7-9(10)3-1;;/h1-2,4,11H,5-8H2;;/q-2;;.
What are the key properties of 2,3,5,9,10,10a-hexahydroimidazo[1,2-b]isoquinoline-1,9-diide;bis(vanadium)?
2,3,5,9,10,10a-hexahydroimidazo[1,2-b]isoquinoline-1,9-diide;bis(vanadium) has a molecular weight of 274.12 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,9,10,10a-hexahydroimidazo[1,2-b]isoquinoline-1,9-diide;bis(vanadium) is sourced from PubChem (CID 58106705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).