cobalt;2-methylpropan-2-ol;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pent-4-enylamino]methylidene]cyclohexa-2,4-dien-1-one

About cobalt;2-methylpropan-2-ol;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pent-4-enylamino]methylidene]cyclohexa-2,4-dien-1-one

cobalt;2-methylpropan-2-ol;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pent-4-enylamino]methylidene]cyclohexa-2,4-dien-1-one (PubChem CID 10622863) has the molecular formula C23H30CoN2O3 and a molecular weight of 441.44 g/mol. Its IUPAC name is cobalt;2-methylpropan-2-ol;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pent-4-enylamino]methylidene]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name	cobalt;2-methylpropan-2-ol;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pent-4-enylamino]methylidene]cyclohexa-2,4-dien-1-one
PubChem CID	10622863
Molecular Formula	C23H30CoN2O3
Molecular Weight	441.44 g/mol
Exact Mass	441.16
IUPAC Name	cobalt;2-methylpropan-2-ol;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pent-4-enylamino]methylidene]cyclohexa-2,4-dien-1-one
SMILES	C=CCC(CN/C=C1/C=CC=CC1=O)N/C=C1/C=CC=CC1=O.CC(C)(C)O.[Co]
InChI	InChI=1S/C19H20N2O2.C4H10O.Co/c1-2-7-17(21-13-16-9-4-6-11-19(16)23)14-20-12-15-8-3-5-10-18(15)22;1-4(2,3)5;/h2-6,8-13,17,20-21H,1,7,14H2;5H,1-3H3;/b15-12-,16-13-;;
InChIKey	KNUINCKUHBANPM-TVAFFHOASA-N
XLogP	3.04
TPSA	78.43 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.44
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of cobalt;2-methylpropan-2-ol;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pent-4-enylamino]methylidene]cyclohexa-2,4-dien-1-one?

The IUPAC name of cobalt;2-methylpropan-2-ol;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pent-4-enylamino]methylidene]cyclohexa-2,4-dien-1-one (CID 10622863) is cobalt;2-methylpropan-2-ol;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pent-4-enylamino]methylidene]cyclohexa-2,4-dien-1-one.

What is the SMILES notation for cobalt;2-methylpropan-2-ol;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pent-4-enylamino]methylidene]cyclohexa-2,4-dien-1-one?

The canonical SMILES for cobalt;2-methylpropan-2-ol;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pent-4-enylamino]methylidene]cyclohexa-2,4-dien-1-one is C=CCC(CN/C=C1/C=CC=CC1=O)N/C=C1/C=CC=CC1=O.CC(C)(C)O.[Co].

What is the InChIKey of cobalt;2-methylpropan-2-ol;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pent-4-enylamino]methylidene]cyclohexa-2,4-dien-1-one?

The InChIKey is KNUINCKUHBANPM-TVAFFHOASA-N. The full InChI is InChI=1S/C19H20N2O2.C4H10O.Co/c1-2-7-17(21-13-16-9-4-6-11-19(16)23)14-20-12-15-8-3-5-10-18(15)22;1-4(2,3)5;/h2-6,8-13,17,20-21H,1,7,14H2;5H,1-3H3;/b15-12-,16-13-;;.

What are the key properties of cobalt;2-methylpropan-2-ol;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pent-4-enylamino]methylidene]cyclohexa-2,4-dien-1-one?

cobalt;2-methylpropan-2-ol;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pent-4-enylamino]methylidene]cyclohexa-2,4-dien-1-one has a molecular weight of 441.44 g/mol, XLogP of 3.04, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt;2-methylpropan-2-ol;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pent-4-enylamino]methylidene]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 10622863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).