cobalt;bis((6Z)-6-(propylaminomethylidene)cyclohexa-2,4-dien-1-one)

C20H26CoN2O2 — CID 5475145

IUPACcobalt;bis((6Z)-6-(propylaminomethylidene)cyclohexa-2,4-dien-1-one)
SMILESCCCN/C=C1/C=CC=CC1=O.CCCN/C=C1/C=CC=CC1=O.[Co]
InChIInChI=1S/2C10H13NO.Co/c2*1-2-7-11-8-9-5-3-4-6-10(9)12;/h2*3-6,8,11H,2,7H2,1H3;/b2*9-8-;
InChIKeyNHVNVMHBHNSYOC-YJMDFNLSSA-N
MW385.37 g/mol
LogP3.13
Rot. Bonds6

About cobalt;bis((6Z)-6-(propylaminomethylidene)cyclohexa-2,4-dien-1-one)

cobalt;bis((6Z)-6-(propylaminomethylidene)cyclohexa-2,4-dien-1-one) (PubChem CID 5475145) has the molecular formula C20H26CoN2O2 and a molecular weight of 385.37 g/mol. Its IUPAC name is cobalt;bis((6Z)-6-(propylaminomethylidene)cyclohexa-2,4-dien-1-one).

Molecular Properties

Compound Namecobalt;bis((6Z)-6-(propylaminomethylidene)cyclohexa-2,4-dien-1-one)
PubChem CID5475145
Molecular FormulaC20H26CoN2O2
Molecular Weight385.37 g/mol
Exact Mass385.13
IUPAC Namecobalt;bis((6Z)-6-(propylaminomethylidene)cyclohexa-2,4-dien-1-one)
SMILESCCCN/C=C1/C=CC=CC1=O.CCCN/C=C1/C=CC=CC1=O.[Co]
InChIInChI=1S/2C10H13NO.Co/c2*1-2-7-11-8-9-5-3-4-6-10(9)12;/h2*3-6,8,11H,2,7H2,1H3;/b2*9-8-;
InChIKeyNHVNVMHBHNSYOC-YJMDFNLSSA-N
XLogP3.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cobalt;bis((6Z)-6-(propylaminomethylidene)cyclohexa-2,4-dien-1-one)?
The IUPAC name of cobalt;bis((6Z)-6-(propylaminomethylidene)cyclohexa-2,4-dien-1-one) (CID 5475145) is cobalt;bis((6Z)-6-(propylaminomethylidene)cyclohexa-2,4-dien-1-one).
What is the SMILES notation for cobalt;bis((6Z)-6-(propylaminomethylidene)cyclohexa-2,4-dien-1-one)?
The canonical SMILES for cobalt;bis((6Z)-6-(propylaminomethylidene)cyclohexa-2,4-dien-1-one) is CCCN/C=C1/C=CC=CC1=O.CCCN/C=C1/C=CC=CC1=O.[Co].
What is the InChIKey of cobalt;bis((6Z)-6-(propylaminomethylidene)cyclohexa-2,4-dien-1-one)?
The InChIKey is NHVNVMHBHNSYOC-YJMDFNLSSA-N. The full InChI is InChI=1S/2C10H13NO.Co/c2*1-2-7-11-8-9-5-3-4-6-10(9)12;/h2*3-6,8,11H,2,7H2,1H3;/b2*9-8-;.
What are the key properties of cobalt;bis((6Z)-6-(propylaminomethylidene)cyclohexa-2,4-dien-1-one)?
cobalt;bis((6Z)-6-(propylaminomethylidene)cyclohexa-2,4-dien-1-one) has a molecular weight of 385.37 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;bis((6Z)-6-(propylaminomethylidene)cyclohexa-2,4-dien-1-one) is sourced from PubChem (CID 5475145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).