dicopper bis(2,2,5,5-tetramethyl-3,3a,4,6a-tetrahydropyrrolo[2,3-b]pyrrole-1,6-diide)

C20H36Cu2N4 — CID 140916730

IUPACdicopper bis(2,2,5,5-tetramethyl-3,3a,4,6a-tetrahydropyrrolo[2,3-b]pyrrole-1,6-diide)
SMILESCC1(C)CC2CC(C)(C)[N-]C2[N-]1.CC1(C)CC2CC(C)(C)[N-]C2[N-]1.[Cu+2].[Cu+2]
InChIInChI=1S/2C10H18N2.2Cu/c2*1-9(2)5-7-6-10(3,4)12-8(7)11-9;;/h2*7-8H,5-6H2,1-4H3;;/q2*-2;2*+2
InChIKeyNZLGBVWWVKIDMD-UHFFFAOYSA-N
MW459.63 g/mol
LogP6.08
Rot. Bonds

About dicopper bis(2,2,5,5-tetramethyl-3,3a,4,6a-tetrahydropyrrolo[2,3-b]pyrrole-1,6-diide)

dicopper bis(2,2,5,5-tetramethyl-3,3a,4,6a-tetrahydropyrrolo[2,3-b]pyrrole-1,6-diide) (PubChem CID 140916730) has the molecular formula C20H36Cu2N4 and a molecular weight of 459.63 g/mol. Its IUPAC name is dicopper bis(2,2,5,5-tetramethyl-3,3a,4,6a-tetrahydropyrrolo[2,3-b]pyrrole-1,6-diide).

Molecular Properties

Compound Namedicopper bis(2,2,5,5-tetramethyl-3,3a,4,6a-tetrahydropyrrolo[2,3-b]pyrrole-1,6-diide)
PubChem CID140916730
Molecular FormulaC20H36Cu2N4
Molecular Weight459.63 g/mol
Exact Mass458.15
IUPAC Namedicopper bis(2,2,5,5-tetramethyl-3,3a,4,6a-tetrahydropyrrolo[2,3-b]pyrrole-1,6-diide)
SMILESCC1(C)CC2CC(C)(C)[N-]C2[N-]1.CC1(C)CC2CC(C)(C)[N-]C2[N-]1.[Cu+2].[Cu+2]
InChIInChI=1S/2C10H18N2.2Cu/c2*1-9(2)5-7-6-10(3,4)12-8(7)11-9;;/h2*7-8H,5-6H2,1-4H3;;/q2*-2;2*+2
InChIKeyNZLGBVWWVKIDMD-UHFFFAOYSA-N
XLogP6.08
TPSA56.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.63
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of dicopper bis(2,2,5,5-tetramethyl-3,3a,4,6a-tetrahydropyrrolo[2,3-b]pyrrole-1,6-diide)?
The IUPAC name of dicopper bis(2,2,5,5-tetramethyl-3,3a,4,6a-tetrahydropyrrolo[2,3-b]pyrrole-1,6-diide) (CID 140916730) is dicopper bis(2,2,5,5-tetramethyl-3,3a,4,6a-tetrahydropyrrolo[2,3-b]pyrrole-1,6-diide).
What is the SMILES notation for dicopper bis(2,2,5,5-tetramethyl-3,3a,4,6a-tetrahydropyrrolo[2,3-b]pyrrole-1,6-diide)?
The canonical SMILES for dicopper bis(2,2,5,5-tetramethyl-3,3a,4,6a-tetrahydropyrrolo[2,3-b]pyrrole-1,6-diide) is CC1(C)CC2CC(C)(C)[N-]C2[N-]1.CC1(C)CC2CC(C)(C)[N-]C2[N-]1.[Cu+2].[Cu+2].
What is the InChIKey of dicopper bis(2,2,5,5-tetramethyl-3,3a,4,6a-tetrahydropyrrolo[2,3-b]pyrrole-1,6-diide)?
The InChIKey is NZLGBVWWVKIDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H18N2.2Cu/c2*1-9(2)5-7-6-10(3,4)12-8(7)11-9;;/h2*7-8H,5-6H2,1-4H3;;/q2*-2;2*+2.
What are the key properties of dicopper bis(2,2,5,5-tetramethyl-3,3a,4,6a-tetrahydropyrrolo[2,3-b]pyrrole-1,6-diide)?
dicopper bis(2,2,5,5-tetramethyl-3,3a,4,6a-tetrahydropyrrolo[2,3-b]pyrrole-1,6-diide) has a molecular weight of 459.63 g/mol, XLogP of 6.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper bis(2,2,5,5-tetramethyl-3,3a,4,6a-tetrahydropyrrolo[2,3-b]pyrrole-1,6-diide) is sourced from PubChem (CID 140916730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).