bis(6-[(2-aminopropylamino)methylidene]cyclohexa-2,4-dien-1-one);cobalt(3+)

C20H28CoN4O2+3 — CID 6849986

IUPACbis(6-[(2-aminopropylamino)methylidene]cyclohexa-2,4-dien-1-one);cobalt(3+)
SMILESCC(N)CNC=C1C=CC=CC1=O.CC(N)CNC=C1C=CC=CC1=O.[Co+3]
InChIInChI=1S/2C10H14N2O.Co/c2*1-8(11)6-12-7-9-4-2-3-5-10(9)13;/h2*2-5,7-8,12H,6,11H2,1H3;/q;;+3
InChIKeyDXUYFJZUWXGYPH-UHFFFAOYSA-N
MW415.40 g/mol
LogP1.00
Rot. Bonds6

About bis(6-[(2-aminopropylamino)methylidene]cyclohexa-2,4-dien-1-one);cobalt(3+)

bis(6-[(2-aminopropylamino)methylidene]cyclohexa-2,4-dien-1-one);cobalt(3+) (PubChem CID 6849986) has the molecular formula C20H28CoN4O2+3 and a molecular weight of 415.40 g/mol. Its IUPAC name is bis(6-[(2-aminopropylamino)methylidene]cyclohexa-2,4-dien-1-one);cobalt(3+).

Molecular Properties

Compound Namebis(6-[(2-aminopropylamino)methylidene]cyclohexa-2,4-dien-1-one);cobalt(3+)
PubChem CID6849986
Molecular FormulaC20H28CoN4O2+3
Molecular Weight415.40 g/mol
Exact Mass415.15
IUPAC Namebis(6-[(2-aminopropylamino)methylidene]cyclohexa-2,4-dien-1-one);cobalt(3+)
SMILESCC(N)CNC=C1C=CC=CC1=O.CC(N)CNC=C1C=CC=CC1=O.[Co+3]
InChIInChI=1S/2C10H14N2O.Co/c2*1-8(11)6-12-7-9-4-2-3-5-10(9)13;/h2*2-5,7-8,12H,6,11H2,1H3;/q;;+3
InChIKeyDXUYFJZUWXGYPH-UHFFFAOYSA-N
XLogP1.00
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(6-[(2-aminopropylamino)methylidene]cyclohexa-2,4-dien-1-one);cobalt(3+)?
The IUPAC name of bis(6-[(2-aminopropylamino)methylidene]cyclohexa-2,4-dien-1-one);cobalt(3+) (CID 6849986) is bis(6-[(2-aminopropylamino)methylidene]cyclohexa-2,4-dien-1-one);cobalt(3+).
What is the SMILES notation for bis(6-[(2-aminopropylamino)methylidene]cyclohexa-2,4-dien-1-one);cobalt(3+)?
The canonical SMILES for bis(6-[(2-aminopropylamino)methylidene]cyclohexa-2,4-dien-1-one);cobalt(3+) is CC(N)CNC=C1C=CC=CC1=O.CC(N)CNC=C1C=CC=CC1=O.[Co+3].
What is the InChIKey of bis(6-[(2-aminopropylamino)methylidene]cyclohexa-2,4-dien-1-one);cobalt(3+)?
The InChIKey is DXUYFJZUWXGYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H14N2O.Co/c2*1-8(11)6-12-7-9-4-2-3-5-10(9)13;/h2*2-5,7-8,12H,6,11H2,1H3;/q;;+3.
What are the key properties of bis(6-[(2-aminopropylamino)methylidene]cyclohexa-2,4-dien-1-one);cobalt(3+)?
bis(6-[(2-aminopropylamino)methylidene]cyclohexa-2,4-dien-1-one);cobalt(3+) has a molecular weight of 415.40 g/mol, XLogP of 1.00, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-[(2-aminopropylamino)methylidene]cyclohexa-2,4-dien-1-one);cobalt(3+) is sourced from PubChem (CID 6849986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).