nickel;(6Z)-6-[[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one

C20H22N2NiO2 — CID 5476037

About nickel;(6Z)-6-[[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one

nickel;(6Z)-6-[[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one (PubChem CID 5476037) has the molecular formula C20H22N2NiO2 and a molecular weight of 381.10 g/mol. Its IUPAC name is nickel;(6Z)-6-[[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one.

Molecular Properties

• Compound Name: nickel;(6Z)-6-[[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one
• PubChem CID: 5476037
• Molecular Formula: C20H22N2NiO2
• Molecular Weight: 381.10 g/mol
• Exact Mass: 380.10
• IUPAC Name: nickel;(6Z)-6-[[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one
• SMILES: O=C1C=CC=C/C1=C/NC1CCCCC1N/C=C1/C=CC=CC1=O.[Ni]
• InChI: InChI=1S/C20H22N2O2.Ni/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;/h1-2,5-8,11-14,17-18,21-22H,3-4,9-10H2;/b15-13-,16-14-
• InChIKey: ICDRKFHAIJSBBQ-MWEBDPMNSA-N
• XLogP: 2.63
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.10
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of nickel;(6Z)-6-[[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one?

The IUPAC name of nickel;(6Z)-6-[[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one (CID 5476037) is nickel;(6Z)-6-[[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one.

What is the SMILES notation for nickel;(6Z)-6-[[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one?

The canonical SMILES for nickel;(6Z)-6-[[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one is O=C1C=CC=C/C1=C/NC1CCCCC1N/C=C1/C=CC=CC1=O.[Ni].

What is the InChIKey of nickel;(6Z)-6-[[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one?

The InChIKey is ICDRKFHAIJSBBQ-MWEBDPMNSA-N. The full InChI is InChI=1S/C20H22N2O2.Ni/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;/h1-2,5-8,11-14,17-18,21-22H,3-4,9-10H2;/b15-13-,16-14-;.

What are the key properties of nickel;(6Z)-6-[[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one?

nickel;(6Z)-6-[[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one has a molecular weight of 381.10 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for nickel;(6Z)-6-[[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 5476037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).