bis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one);zinc

C20H26N2O2Zn — CID 5475603

IUPACbis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one);zinc
SMILESCC(C)N/C=C1/C=CC=CC1=O.CC(C)N/C=C1/C=CC=CC1=O.[Zn]
InChIInChI=1S/2C10H13NO.Zn/c2*1-8(2)11-7-9-5-3-4-6-10(9)12;/h2*3-8,11H,1-2H3;/b2*9-7-;
InChIKeyHKDAMVHXOGUFEY-LHSHWCRNSA-N
MW391.83 g/mol
LogP3.12
Rot. Bonds4

About bis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one);zinc

bis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one);zinc (PubChem CID 5475603) has the molecular formula C20H26N2O2Zn and a molecular weight of 391.83 g/mol. Its IUPAC name is bis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one);zinc.

Molecular Properties

Compound Namebis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one);zinc
PubChem CID5475603
Molecular FormulaC20H26N2O2Zn
Molecular Weight391.83 g/mol
Exact Mass390.13
IUPAC Namebis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one);zinc
SMILESCC(C)N/C=C1/C=CC=CC1=O.CC(C)N/C=C1/C=CC=CC1=O.[Zn]
InChIInChI=1S/2C10H13NO.Zn/c2*1-8(2)11-7-9-5-3-4-6-10(9)12;/h2*3-8,11H,1-2H3;/b2*9-7-;
InChIKeyHKDAMVHXOGUFEY-LHSHWCRNSA-N
XLogP3.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.83
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-Bis(salicylidene)ethylenediaminocobalt(II)
CID 11012797
Disodium;carbanide;6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 59977943
bis(1H-benzo[h]quinolin-10-one);zinc
CID 158704847
iron;tris((6Z)-6-(propylaminomethylidene)cyclohexa-2,4-dien-1-one)
CID 5379606
nickel;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5379709
cobalt;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5379717
copper;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5379744
(6Z)-4-methyl-6-[[2-[[(Z)-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;zinc
CID 5385183
(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;zinc
CID 5473387
copper;bis((6Z)-6-(methylaminomethylidene)cyclohexa-2,4-dien-1-one)
CID 5473425
bis((6Z)-6-(butylaminomethylidene)cyclohexa-2,4-dien-1-one);copper
CID 5474159
bis((6Z)-6-[(butan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one);copper
CID 5475135

Frequently Asked Questions

What is the IUPAC name of bis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one);zinc?
The IUPAC name of bis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one);zinc (CID 5475603) is bis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one);zinc.
What is the SMILES notation for bis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one);zinc?
The canonical SMILES for bis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one);zinc is CC(C)N/C=C1/C=CC=CC1=O.CC(C)N/C=C1/C=CC=CC1=O.[Zn].
What is the InChIKey of bis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one);zinc?
The InChIKey is HKDAMVHXOGUFEY-LHSHWCRNSA-N. The full InChI is InChI=1S/2C10H13NO.Zn/c2*1-8(2)11-7-9-5-3-4-6-10(9)12;/h2*3-8,11H,1-2H3;/b2*9-7-;.
What are the key properties of bis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one);zinc?
bis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one);zinc has a molecular weight of 391.83 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis((6Z)-6-[(propan-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one);zinc is sourced from PubChem (CID 5475603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).