bis[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethyl]azanide;cobalt

C18H20CoN3O2- — CID 6827197

IUPACbis[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethyl]azanide;cobalt
SMILESO=C1C=CC=CC1=CNCC[N-]CCNC=C1C=CC=CC1=O.[Co]
InChIInChI=1S/C18H20N3O2.Co/c22-17-7-3-1-5-15(17)13-20-11-9-19-10-12-21-14-16-6-2-4-8-18(16)23;/h1-8,13-14,20-21H,9-12H2;/q-1;
InChIKeyNPNRZQHWMGSGCG-UHFFFAOYSA-N
MW369.31 g/mol
LogP1.69
Rot. Bonds8

About bis[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethyl]azanide;cobalt

bis[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethyl]azanide;cobalt (PubChem CID 6827197) has the molecular formula C18H20CoN3O2- and a molecular weight of 369.31 g/mol. Its IUPAC name is bis[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethyl]azanide;cobalt.

Molecular Properties

Compound Namebis[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethyl]azanide;cobalt
PubChem CID6827197
Molecular FormulaC18H20CoN3O2-
Molecular Weight369.31 g/mol
Exact Mass369.09
IUPAC Namebis[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethyl]azanide;cobalt
SMILESO=C1C=CC=CC1=CNCC[N-]CCNC=C1C=CC=CC1=O.[Co]
InChIInChI=1S/C18H20N3O2.Co/c22-17-7-3-1-5-15(17)13-20-11-9-19-10-12-21-14-16-6-2-4-8-18(16)23;/h1-8,13-14,20-21H,9-12H2;/q-1;
InChIKeyNPNRZQHWMGSGCG-UHFFFAOYSA-N
XLogP1.69
TPSA72.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethyl]azanide;cobalt?
The IUPAC name of bis[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethyl]azanide;cobalt (CID 6827197) is bis[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethyl]azanide;cobalt.
What is the SMILES notation for bis[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethyl]azanide;cobalt?
The canonical SMILES for bis[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethyl]azanide;cobalt is O=C1C=CC=CC1=CNCC[N-]CCNC=C1C=CC=CC1=O.[Co].
What is the InChIKey of bis[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethyl]azanide;cobalt?
The InChIKey is NPNRZQHWMGSGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N3O2.Co/c22-17-7-3-1-5-15(17)13-20-11-9-19-10-12-21-14-16-6-2-4-8-18(16)23;/h1-8,13-14,20-21H,9-12H2;/q-1;.
What are the key properties of bis[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethyl]azanide;cobalt?
bis[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethyl]azanide;cobalt has a molecular weight of 369.31 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethyl]azanide;cobalt is sourced from PubChem (CID 6827197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).