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

C20H22N2NiO2 — CID 6812802

IUPACnickel;6-[[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=CC1=CNC1CCCCC1NC=C1C=CC=CC1=O.[Ni]
InChIInChI=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;
InChIKeyICDRKFHAIJSBBQ-UHFFFAOYSA-N
MW381.10 g/mol
LogP2.63
Rot. Bonds4

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

nickel;6-[[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one (PubChem CID 6812802) has the molecular formula C20H22N2NiO2 and a molecular weight of 381.10 g/mol. Its IUPAC name is nickel;6-[[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Namenickel;6-[[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one
PubChem CID6812802
Molecular FormulaC20H22N2NiO2
Molecular Weight381.10 g/mol
Exact Mass380.10
IUPAC Namenickel;6-[[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=CC1=CNC1CCCCC1NC=C1C=CC=CC1=O.[Ni]
InChIInChI=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;
InChIKeyICDRKFHAIJSBBQ-UHFFFAOYSA-N
XLogP2.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.10
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze nickel;6-[[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of nickel;6-[[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one?
The IUPAC name of nickel;6-[[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one (CID 6812802) is nickel;6-[[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one.
What is the SMILES notation for nickel;6-[[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one?
The canonical SMILES for nickel;6-[[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one is O=C1C=CC=CC1=CNC1CCCCC1NC=C1C=CC=CC1=O.[Ni].
What is the InChIKey of nickel;6-[[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one?
The InChIKey is ICDRKFHAIJSBBQ-UHFFFAOYSA-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;.
What are the key properties of nickel;6-[[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one?
nickel;6-[[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]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;6-[[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 6812802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).