cobalt(3+);1-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propan-2-ylazanide;2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylazanide

C20H26CoN4O2+ — CID 6850475

IUPACcobalt(3+);1-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propan-2-ylazanide;2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylazanide
SMILESCC(C[NH-])NC=C1C=CC=CC1=O.CC([NH-])CNC=C1C=CC=CC1=O.[Co+3]
InChIInChI=1S/2C10H13N2O.Co/c1-8(11)6-12-7-9-4-2-3-5-10(9)13;1-8(6-11)12-7-9-4-2-3-5-10(9)13;/h2*2-5,7-8,11-12H,6H2,1H3;/q2*-1;+3
InChIKeyFUMPMMRHVNPGTP-UHFFFAOYSA-N
MW413.39 g/mol
LogP3.19
Rot. Bonds6

About cobalt(3+);1-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propan-2-ylazanide;2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylazanide

cobalt(3+);1-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propan-2-ylazanide;2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylazanide (PubChem CID 6850475) has the molecular formula C20H26CoN4O2+ and a molecular weight of 413.39 g/mol. Its IUPAC name is cobalt(3+);1-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propan-2-ylazanide;2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylazanide.

Molecular Properties

Compound Namecobalt(3+);1-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propan-2-ylazanide;2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylazanide
PubChem CID6850475
Molecular FormulaC20H26CoN4O2+
Molecular Weight413.39 g/mol
Exact Mass413.14
IUPAC Namecobalt(3+);1-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propan-2-ylazanide;2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylazanide
SMILESCC(C[NH-])NC=C1C=CC=CC1=O.CC([NH-])CNC=C1C=CC=CC1=O.[Co+3]
InChIInChI=1S/2C10H13N2O.Co/c1-8(11)6-12-7-9-4-2-3-5-10(9)13;1-8(6-11)12-7-9-4-2-3-5-10(9)13;/h2*2-5,7-8,11-12H,6H2,1H3;/q2*-1;+3
InChIKeyFUMPMMRHVNPGTP-UHFFFAOYSA-N
XLogP3.19
TPSA105.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.39
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze cobalt(3+);1-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propan-2-ylazanide;2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylazanide with MolForge

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Frequently Asked Questions

What is the IUPAC name of cobalt(3+);1-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propan-2-ylazanide;2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylazanide?
The IUPAC name of 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) is cobalt(3+);1-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propan-2-ylazanide;2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylazanide.
What is the SMILES notation for cobalt(3+);1-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propan-2-ylazanide;2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylazanide?
The canonical SMILES for cobalt(3+);1-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propan-2-ylazanide;2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylazanide is CC(C[NH-])NC=C1C=CC=CC1=O.CC([NH-])CNC=C1C=CC=CC1=O.[Co+3].
What is the InChIKey of cobalt(3+);1-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propan-2-ylazanide;2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylazanide?
The InChIKey is FUMPMMRHVNPGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H13N2O.Co/c1-8(11)6-12-7-9-4-2-3-5-10(9)13;1-8(6-11)12-7-9-4-2-3-5-10(9)13;/h2*2-5,7-8,11-12H,6H2,1H3;/q2*-1;+3.
What are the key properties of cobalt(3+);1-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propan-2-ylazanide;2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylazanide?
cobalt(3+);1-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propan-2-ylazanide;2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylazanide has a molecular weight of 413.39 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);1-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propan-2-ylazanide;2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propylazanide is sourced from PubChem (CID 6850475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).