cobalt;6-[[[2-methyl-2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]amino]methylidene]cyclohexa-2,4-dien-1-one

C18H20CoN2O2 — CID 5379363

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

cobalt;6-[[[2-methyl-2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]amino]methylidene]cyclohexa-2,4-dien-1-one (PubChem CID 5379363) has the molecular formula C18H20CoN2O2 and a molecular weight of 355.30 g/mol. Its IUPAC name is cobalt;6-[[[2-methyl-2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]amino]methylidene]cyclohexa-2,4-dien-1-one.

Molecular Properties

• Compound Name: cobalt;6-[[[2-methyl-2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]amino]methylidene]cyclohexa-2,4-dien-1-one
• PubChem CID: 5379363
• Molecular Formula: C18H20CoN2O2
• Molecular Weight: 355.30 g/mol
• Exact Mass: 355.09
• IUPAC Name: cobalt;6-[[[2-methyl-2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]amino]methylidene]cyclohexa-2,4-dien-1-one
• SMILES: CC(C)(CNC=C1C=CC=CC1=O)NC=C1C=CC=CC1=O.[Co]
• InChI: InChI=1S/C18H20N2O2.Co/c1-18(2,20-12-15-8-4-6-10-17(15)22)13-19-11-14-7-3-5-9-16(14)21;/h3-12,19-20H,13H2,1-2H3
• InChIKey: QYCLVGMWMRMORF-UHFFFAOYSA-N
• XLogP: 2.10
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.30
LogP ≤ 5	2.10
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 cobalt;6-[[[2-methyl-2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]amino]methylidene]cyclohexa-2,4-dien-1-one?

The IUPAC name of cobalt;6-[[[2-methyl-2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]amino]methylidene]cyclohexa-2,4-dien-1-one (CID 5379363) is cobalt;6-[[[2-methyl-2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]amino]methylidene]cyclohexa-2,4-dien-1-one.

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

The canonical SMILES for cobalt;6-[[[2-methyl-2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]amino]methylidene]cyclohexa-2,4-dien-1-one is CC(C)(CNC=C1C=CC=CC1=O)NC=C1C=CC=CC1=O.[Co].

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

The InChIKey is QYCLVGMWMRMORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2.Co/c1-18(2,20-12-15-8-4-6-10-17(15)22)13-19-11-14-7-3-5-9-16(14)21;/h3-12,19-20H,13H2,1-2H3;.

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

cobalt;6-[[[2-methyl-2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]amino]methylidene]cyclohexa-2,4-dien-1-one has a molecular weight of 355.30 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt;6-[[[2-methyl-2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]amino]methylidene]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 5379363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).