bis((6Z)-6-(ethylaminomethylidene)cyclohexa-2,4-dien-1-one);palladium

C18H22N2O2Pd — CID 5476647

IUPACbis((6Z)-6-(ethylaminomethylidene)cyclohexa-2,4-dien-1-one);palladium
SMILESCCN/C=C1/C=CC=CC1=O.CCN/C=C1/C=CC=CC1=O.[Pd]
InChIInChI=1S/2C9H11NO.Pd/c2*1-2-10-7-8-5-3-4-6-9(8)11;/h2*3-7,10H,2H2,1H3;/b2*8-7-;
InChIKeySGSGEZAAYGBGAB-ATMONBRVSA-N
MW404.81 g/mol
LogP2.35
Rot. Bonds4

About bis((6Z)-6-(ethylaminomethylidene)cyclohexa-2,4-dien-1-one);palladium

bis((6Z)-6-(ethylaminomethylidene)cyclohexa-2,4-dien-1-one);palladium (PubChem CID 5476647) has the molecular formula C18H22N2O2Pd and a molecular weight of 404.81 g/mol. Its IUPAC name is bis((6Z)-6-(ethylaminomethylidene)cyclohexa-2,4-dien-1-one);palladium.

Molecular Properties

Compound Namebis((6Z)-6-(ethylaminomethylidene)cyclohexa-2,4-dien-1-one);palladium
PubChem CID5476647
Molecular FormulaC18H22N2O2Pd
Molecular Weight404.81 g/mol
Exact Mass404.07
IUPAC Namebis((6Z)-6-(ethylaminomethylidene)cyclohexa-2,4-dien-1-one);palladium
SMILESCCN/C=C1/C=CC=CC1=O.CCN/C=C1/C=CC=CC1=O.[Pd]
InChIInChI=1S/2C9H11NO.Pd/c2*1-2-10-7-8-5-3-4-6-9(8)11;/h2*3-7,10H,2H2,1H3;/b2*8-7-;
InChIKeySGSGEZAAYGBGAB-ATMONBRVSA-N
XLogP2.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.81
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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((6Z)-6-(ethylaminomethylidene)cyclohexa-2,4-dien-1-one);palladium?
The IUPAC name of bis((6Z)-6-(ethylaminomethylidene)cyclohexa-2,4-dien-1-one);palladium (CID 5476647) is bis((6Z)-6-(ethylaminomethylidene)cyclohexa-2,4-dien-1-one);palladium.
What is the SMILES notation for bis((6Z)-6-(ethylaminomethylidene)cyclohexa-2,4-dien-1-one);palladium?
The canonical SMILES for bis((6Z)-6-(ethylaminomethylidene)cyclohexa-2,4-dien-1-one);palladium is CCN/C=C1/C=CC=CC1=O.CCN/C=C1/C=CC=CC1=O.[Pd].
What is the InChIKey of bis((6Z)-6-(ethylaminomethylidene)cyclohexa-2,4-dien-1-one);palladium?
The InChIKey is SGSGEZAAYGBGAB-ATMONBRVSA-N. The full InChI is InChI=1S/2C9H11NO.Pd/c2*1-2-10-7-8-5-3-4-6-9(8)11;/h2*3-7,10H,2H2,1H3;/b2*8-7-;.
What are the key properties of bis((6Z)-6-(ethylaminomethylidene)cyclohexa-2,4-dien-1-one);palladium?
bis((6Z)-6-(ethylaminomethylidene)cyclohexa-2,4-dien-1-one);palladium has a molecular weight of 404.81 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis((6Z)-6-(ethylaminomethylidene)cyclohexa-2,4-dien-1-one);palladium is sourced from PubChem (CID 5476647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).