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

C27H27MnN3O6 — CID 11180263

IUPACmanganese;tris((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.O=C1C=CC=C/C1=C1/NCCO1.[Mn]
InChIInChI=1S/3C9H9NO2.Mn/c3*11-8-4-2-1-3-7(8)9-10-5-6-12-9;/h3*1-4,10H,5-6H2;/b3*9-7+;
InChIKeyXQPOCLUVXGUBRG-UFRADDTFSA-N
MW544.47 g/mol
LogP1.54
Rot. Bonds

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

manganese;tris((6E)-6-(1,3-oxazolidin-2-ylidene)cyclohexa-2,4-dien-1-one) (PubChem CID 11180263) has the molecular formula C27H27MnN3O6 and a molecular weight of 544.47 g/mol. Its IUPAC name is manganese;tris((6E)-6-(1,3-oxazolidin-2-ylidene)cyclohexa-2,4-dien-1-one).

Molecular Properties

Compound Namemanganese;tris((6E)-6-(1,3-oxazolidin-2-ylidene)cyclohexa-2,4-dien-1-one)
PubChem CID11180263
Molecular FormulaC27H27MnN3O6
Molecular Weight544.47 g/mol
Exact Mass544.13
IUPAC Namemanganese;tris((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.O=C1C=CC=C/C1=C1/NCCO1.[Mn]
InChIInChI=1S/3C9H9NO2.Mn/c3*11-8-4-2-1-3-7(8)9-10-5-6-12-9;/h3*1-4,10H,5-6H2;/b3*9-7+;
InChIKeyXQPOCLUVXGUBRG-UFRADDTFSA-N
XLogP1.54
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.47
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze manganese;tris((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 manganese;tris((6E)-6-(1,3-oxazolidin-2-ylidene)cyclohexa-2,4-dien-1-one)?
The IUPAC name of manganese;tris((6E)-6-(1,3-oxazolidin-2-ylidene)cyclohexa-2,4-dien-1-one) (CID 11180263) is manganese;tris((6E)-6-(1,3-oxazolidin-2-ylidene)cyclohexa-2,4-dien-1-one).
What is the SMILES notation for manganese;tris((6E)-6-(1,3-oxazolidin-2-ylidene)cyclohexa-2,4-dien-1-one)?
The canonical SMILES for manganese;tris((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.O=C1C=CC=C/C1=C1/NCCO1.[Mn].
What is the InChIKey of manganese;tris((6E)-6-(1,3-oxazolidin-2-ylidene)cyclohexa-2,4-dien-1-one)?
The InChIKey is XQPOCLUVXGUBRG-UFRADDTFSA-N. The full InChI is InChI=1S/3C9H9NO2.Mn/c3*11-8-4-2-1-3-7(8)9-10-5-6-12-9;/h3*1-4,10H,5-6H2;/b3*9-7+;.
What are the key properties of manganese;tris((6E)-6-(1,3-oxazolidin-2-ylidene)cyclohexa-2,4-dien-1-one)?
manganese;tris((6E)-6-(1,3-oxazolidin-2-ylidene)cyclohexa-2,4-dien-1-one) has a molecular weight of 544.47 g/mol, XLogP of 1.54, 0 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for manganese;tris((6E)-6-(1,3-oxazolidin-2-ylidene)cyclohexa-2,4-dien-1-one) is sourced from PubChem (CID 11180263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).