bis((6Z)-6-[[2-(aziridin-1-yl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one);cobalt(2+)

C22H28CoN4O2+2 — CID 6333194

IUPACbis((6Z)-6-[[2-(aziridin-1-yl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one);cobalt(2+)
SMILESO=C1C=CC=C/C1=C/NCCN1CC1.O=C1C=CC=C/C1=C/NCCN1CC1.[Co+2]
InChIInChI=1S/2C11H14N2O.Co/c2*14-11-4-2-1-3-10(11)9-12-5-6-13-7-8-13;/h2*1-4,9,12H,5-8H2;/q;;+2/b2*10-9-;
InChIKeyZVEYPHIABCESCP-CVBJKYQLSA-N
MW439.43 g/mol
LogP0.94
Rot. Bonds8

About bis((6Z)-6-[[2-(aziridin-1-yl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one);cobalt(2+)

bis((6Z)-6-[[2-(aziridin-1-yl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one);cobalt(2+) (PubChem CID 6333194) has the molecular formula C22H28CoN4O2+2 and a molecular weight of 439.43 g/mol. Its IUPAC name is bis((6Z)-6-[[2-(aziridin-1-yl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one);cobalt(2+).

Molecular Properties

Compound Namebis((6Z)-6-[[2-(aziridin-1-yl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one);cobalt(2+)
PubChem CID6333194
Molecular FormulaC22H28CoN4O2+2
Molecular Weight439.43 g/mol
Exact Mass439.15
IUPAC Namebis((6Z)-6-[[2-(aziridin-1-yl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one);cobalt(2+)
SMILESO=C1C=CC=C/C1=C/NCCN1CC1.O=C1C=CC=C/C1=C/NCCN1CC1.[Co+2]
InChIInChI=1S/2C11H14N2O.Co/c2*14-11-4-2-1-3-10(11)9-12-5-6-13-7-8-13;/h2*1-4,9,12H,5-8H2;/q;;+2/b2*10-9-;
InChIKeyZVEYPHIABCESCP-CVBJKYQLSA-N
XLogP0.94
TPSA64.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.43
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze bis((6Z)-6-[[2-(aziridin-1-yl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one);cobalt(2+) with MolForge

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Related Compounds

bis[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]azanide;cobalt
CID 5475924
bis((6Z)-6-[[2-(aziridin-1-yl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one);nickel(2+)
CID 6332858
zinc bis((6Z)-6-[[2-(aziridin-1-yl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one)
CID 6333834
Bis(6-[[2-(aziridin-1-yl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one);cobalt(2+)
CID 6812134
Bis[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethyl]azanide;cobalt
CID 6827197
Bis(6-[[2-(aziridin-1-yl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one);copper
CID 6831350
Bis(6-[[2-(aziridin-1-yl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one);nickel(2+)
CID 6833811
Bis(6-[[2-(aziridin-1-yl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one);nickel
CID 6841827
ZINC bis(6-[[2-(aziridin-1-yl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one)
CID 6842643
Chromium(3+);bis(2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylazanide)
CID 6849612
Bis(6-[(2-aminopropylamino)methylidene]cyclohexa-2,4-dien-1-one);cobalt(3+)
CID 6849986
Cobalt(3+);1-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propan-2-ylazanide;2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylazanide
CID 6850475

Frequently Asked Questions

What is the IUPAC name of bis((6Z)-6-[[2-(aziridin-1-yl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one);cobalt(2+)?
The IUPAC name of bis((6Z)-6-[[2-(aziridin-1-yl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one);cobalt(2+) (CID 6333194) is bis((6Z)-6-[[2-(aziridin-1-yl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one);cobalt(2+).
What is the SMILES notation for bis((6Z)-6-[[2-(aziridin-1-yl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one);cobalt(2+)?
The canonical SMILES for bis((6Z)-6-[[2-(aziridin-1-yl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one);cobalt(2+) is O=C1C=CC=C/C1=C/NCCN1CC1.O=C1C=CC=C/C1=C/NCCN1CC1.[Co+2].
What is the InChIKey of bis((6Z)-6-[[2-(aziridin-1-yl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one);cobalt(2+)?
The InChIKey is ZVEYPHIABCESCP-CVBJKYQLSA-N. The full InChI is InChI=1S/2C11H14N2O.Co/c2*14-11-4-2-1-3-10(11)9-12-5-6-13-7-8-13;/h2*1-4,9,12H,5-8H2;/q;;+2/b2*10-9-;.
What are the key properties of bis((6Z)-6-[[2-(aziridin-1-yl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one);cobalt(2+)?
bis((6Z)-6-[[2-(aziridin-1-yl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one);cobalt(2+) has a molecular weight of 439.43 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis((6Z)-6-[[2-(aziridin-1-yl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one);cobalt(2+) is sourced from PubChem (CID 6333194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).