copper;bis(copper(1+));tetrakis(N-(3-nitrosobut-2-en-2-yl)hydroxylamine);bis(1,4,7-triazanidacyclononane)

C28H56Cu4N14O8-4 — CID 5250205

About copper;bis(copper(1+));tetrakis(N-(3-nitrosobut-2-en-2-yl)hydroxylamine);bis(1,4,7-triazanidacyclononane)

copper;bis(copper(1+));tetrakis(N-(3-nitrosobut-2-en-2-yl)hydroxylamine);bis(1,4,7-triazanidacyclononane) (PubChem CID 5250205) has the molecular formula C28H56Cu4N14O8-4 and a molecular weight of 971.03 g/mol. Its IUPAC name is copper;bis(copper(1+));tetrakis(N-(3-nitrosobut-2-en-2-yl)hydroxylamine);bis(1,4,7-triazanidacyclononane).

Molecular Properties

• Compound Name: copper;bis(copper(1+));tetrakis(N-(3-nitrosobut-2-en-2-yl)hydroxylamine);bis(1,4,7-triazanidacyclononane)
• PubChem CID: 5250205
• Molecular Formula: C28H56Cu4N14O8-4
• Molecular Weight: 971.03 g/mol
• Exact Mass: 968.16
• IUPAC Name: copper;bis(copper(1+));tetrakis(N-(3-nitrosobut-2-en-2-yl)hydroxylamine);bis(1,4,7-triazanidacyclononane)
• SMILES: C1C[N-]CC[N-]CC[N-]1.C1C[N-]CC[N-]CC[N-]1.CC(N=O)=C(C)NO.CC(N=O)=C(C)NO.CC(N=O)=C(C)NO.CC(N=O)=C(C)NO.[Cu+].[Cu+].[Cu].[Cu]
• InChI: InChI=1S/2C6H12N3.4C4H8N2O2.4Cu/c2*1-2-8-5-6-9-4-3-7-1;4*1-3(5-7)4(2)6-8;;;;/h2*1-6H2;4*5,7H,1-2H3;;;;/q2*-3;;;;;;;2*+1
• InChIKey: IPTWXUBPAYHQGT-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 331.36 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	971.03
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of copper;bis(copper(1+));tetrakis(N-(3-nitrosobut-2-en-2-yl)hydroxylamine);bis(1,4,7-triazanidacyclononane)?

The IUPAC name of copper;bis(copper(1+));tetrakis(N-(3-nitrosobut-2-en-2-yl)hydroxylamine);bis(1,4,7-triazanidacyclononane) (CID 5250205) is copper;bis(copper(1+));tetrakis(N-(3-nitrosobut-2-en-2-yl)hydroxylamine);bis(1,4,7-triazanidacyclononane).

What is the SMILES notation for copper;bis(copper(1+));tetrakis(N-(3-nitrosobut-2-en-2-yl)hydroxylamine);bis(1,4,7-triazanidacyclononane)?

The canonical SMILES for copper;bis(copper(1+));tetrakis(N-(3-nitrosobut-2-en-2-yl)hydroxylamine);bis(1,4,7-triazanidacyclononane) is C1C[N-]CC[N-]CC[N-]1.C1C[N-]CC[N-]CC[N-]1.CC(N=O)=C(C)NO.CC(N=O)=C(C)NO.CC(N=O)=C(C)NO.CC(N=O)=C(C)NO.[Cu+].[Cu+].[Cu].[Cu].

What is the InChIKey of copper;bis(copper(1+));tetrakis(N-(3-nitrosobut-2-en-2-yl)hydroxylamine);bis(1,4,7-triazanidacyclononane)?

The InChIKey is IPTWXUBPAYHQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12N3.4C4H8N2O2.4Cu/c2*1-2-8-5-6-9-4-3-7-1;4*1-3(5-7)4(2)6-8;;;;/h2*1-6H2;4*5,7H,1-2H3;;;;/q2*-3;;;;;;;2*+1.

What are the key properties of copper;bis(copper(1+));tetrakis(N-(3-nitrosobut-2-en-2-yl)hydroxylamine);bis(1,4,7-triazanidacyclononane)?

copper;bis(copper(1+));tetrakis(N-(3-nitrosobut-2-en-2-yl)hydroxylamine);bis(1,4,7-triazanidacyclononane) has a molecular weight of 971.03 g/mol, XLogP of 6.16, 8 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for copper;bis(copper(1+));tetrakis(N-(3-nitrosobut-2-en-2-yl)hydroxylamine);bis(1,4,7-triazanidacyclononane) is sourced from PubChem (CID 5250205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).