copper;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]methylidene]cyclohexa-2,4-dien-1-one

About copper;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]methylidene]cyclohexa-2,4-dien-1-one

copper;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]methylidene]cyclohexa-2,4-dien-1-one (PubChem CID 5476040) has the molecular formula C17H18CuN2O2 and a molecular weight of 345.89 g/mol. Its IUPAC name is copper;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]methylidene]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name	copper;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]methylidene]cyclohexa-2,4-dien-1-one
PubChem CID	5476040
Molecular Formula	C17H18CuN2O2
Molecular Weight	345.89 g/mol
Exact Mass	345.07
IUPAC Name	copper;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]methylidene]cyclohexa-2,4-dien-1-one
SMILES	CC(CN/C=C1/C=CC=CC1=O)N/C=C1/C=CC=CC1=O.[Cu]
InChI	InChI=1S/C17H18N2O2.Cu/c1-13(19-12-15-7-3-5-9-17(15)21)10-18-11-14-6-2-4-8-16(14)20;/h2-9,11-13,18-19H,10H2,1H3;/b14-11-,15-12-;
InChIKey	YGXMRFZAOSHBLZ-WGKAQQIGSA-N
XLogP	1.71
TPSA	58.20 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.89
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of copper;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]methylidene]cyclohexa-2,4-dien-1-one?

The IUPAC name of copper;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]methylidene]cyclohexa-2,4-dien-1-one (CID 5476040) is copper;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]methylidene]cyclohexa-2,4-dien-1-one.

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

The canonical SMILES for copper;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]methylidene]cyclohexa-2,4-dien-1-one is CC(CN/C=C1/C=CC=CC1=O)N/C=C1/C=CC=CC1=O.[Cu].

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

The InChIKey is YGXMRFZAOSHBLZ-WGKAQQIGSA-N. The full InChI is InChI=1S/C17H18N2O2.Cu/c1-13(19-12-15-7-3-5-9-17(15)21)10-18-11-14-6-2-4-8-16(14)20;/h2-9,11-13,18-19H,10H2,1H3;/b14-11-,15-12-;.

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

copper;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]methylidene]cyclohexa-2,4-dien-1-one has a molecular weight of 345.89 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for copper;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]methylidene]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 5476040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).