nickel;bis((6E)-6-(1,3-oxazolidin-2-ylidene)cyclohexa-2,4-dien-1-one)

C18H18N2NiO4 — CID 11394963

IUPACnickel;bis((6E)-6-(1,3-oxazolidin-2-ylidene)cyclohexa-2,4-dien-1-one)
SMILESO=C1C=CC=C/C1=C1/NCCO1.O=C1C=CC=C/C1=C1/NCCO1.[Ni]
InChIInChI=1S/2C9H9NO2.Ni/c2*11-8-4-2-1-3-7(8)9-10-5-6-12-9;/h2*1-4,10H,5-6H2;/b2*9-7+;
InChIKeyINZYBBJBJLVDCU-OMWVKWIASA-N
MW385.05 g/mol
LogP1.02
Rot. Bonds

About nickel;bis((6E)-6-(1,3-oxazolidin-2-ylidene)cyclohexa-2,4-dien-1-one)

nickel;bis((6E)-6-(1,3-oxazolidin-2-ylidene)cyclohexa-2,4-dien-1-one) (PubChem CID 11394963) has the molecular formula C18H18N2NiO4 and a molecular weight of 385.05 g/mol. Its IUPAC name is nickel;bis((6E)-6-(1,3-oxazolidin-2-ylidene)cyclohexa-2,4-dien-1-one).

Molecular Properties

Compound Namenickel;bis((6E)-6-(1,3-oxazolidin-2-ylidene)cyclohexa-2,4-dien-1-one)
PubChem CID11394963
Molecular FormulaC18H18N2NiO4
Molecular Weight385.05 g/mol
Exact Mass384.06
IUPAC Namenickel;bis((6E)-6-(1,3-oxazolidin-2-ylidene)cyclohexa-2,4-dien-1-one)
SMILESO=C1C=CC=C/C1=C1/NCCO1.O=C1C=CC=C/C1=C1/NCCO1.[Ni]
InChIInChI=1S/2C9H9NO2.Ni/c2*11-8-4-2-1-3-7(8)9-10-5-6-12-9;/h2*1-4,10H,5-6H2;/b2*9-7+;
InChIKeyINZYBBJBJLVDCU-OMWVKWIASA-N
XLogP1.02
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.05
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze nickel;bis((6E)-6-(1,3-oxazolidin-2-ylidene)cyclohexa-2,4-dien-1-one) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of nickel;bis((6E)-6-(1,3-oxazolidin-2-ylidene)cyclohexa-2,4-dien-1-one)?
The IUPAC name of nickel;bis((6E)-6-(1,3-oxazolidin-2-ylidene)cyclohexa-2,4-dien-1-one) (CID 11394963) is nickel;bis((6E)-6-(1,3-oxazolidin-2-ylidene)cyclohexa-2,4-dien-1-one).
What is the SMILES notation for nickel;bis((6E)-6-(1,3-oxazolidin-2-ylidene)cyclohexa-2,4-dien-1-one)?
The canonical SMILES for nickel;bis((6E)-6-(1,3-oxazolidin-2-ylidene)cyclohexa-2,4-dien-1-one) is O=C1C=CC=C/C1=C1/NCCO1.O=C1C=CC=C/C1=C1/NCCO1.[Ni].
What is the InChIKey of nickel;bis((6E)-6-(1,3-oxazolidin-2-ylidene)cyclohexa-2,4-dien-1-one)?
The InChIKey is INZYBBJBJLVDCU-OMWVKWIASA-N. The full InChI is InChI=1S/2C9H9NO2.Ni/c2*11-8-4-2-1-3-7(8)9-10-5-6-12-9;/h2*1-4,10H,5-6H2;/b2*9-7+;.
What are the key properties of nickel;bis((6E)-6-(1,3-oxazolidin-2-ylidene)cyclohexa-2,4-dien-1-one)?
nickel;bis((6E)-6-(1,3-oxazolidin-2-ylidene)cyclohexa-2,4-dien-1-one) has a molecular weight of 385.05 g/mol, XLogP of 1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;bis((6E)-6-(1,3-oxazolidin-2-ylidene)cyclohexa-2,4-dien-1-one) is sourced from PubChem (CID 11394963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).