manganese(2+);bis((Z)-4-oxopent-2-en-2-olate);1,10-phenanthroline

C22H22MnN2O4 — CID 139086176

IUPACmanganese(2+);bis((Z)-4-oxopent-2-en-2-olate);1,10-phenanthroline
SMILESCC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].[Mn+2].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.2C5H8O2.Mn/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-4(6)3-5(2)7;/h1-8H;2*3,6H,1-2H3;/q;;;+2/p-2/b;2*4-3-;
InChIKeyVNPYPIGXSCDEMB-QDMRRLORSA-L
MW433.37 g/mol
LogP2.46
Rot. Bonds2

About manganese(2+);bis((Z)-4-oxopent-2-en-2-olate);1,10-phenanthroline

manganese(2+);bis((Z)-4-oxopent-2-en-2-olate);1,10-phenanthroline (PubChem CID 139086176) has the molecular formula C22H22MnN2O4 and a molecular weight of 433.37 g/mol. Its IUPAC name is manganese(2+);bis((Z)-4-oxopent-2-en-2-olate);1,10-phenanthroline.

Molecular Properties

Compound Namemanganese(2+);bis((Z)-4-oxopent-2-en-2-olate);1,10-phenanthroline
PubChem CID139086176
Molecular FormulaC22H22MnN2O4
Molecular Weight433.37 g/mol
Exact Mass433.10
IUPAC Namemanganese(2+);bis((Z)-4-oxopent-2-en-2-olate);1,10-phenanthroline
SMILESCC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].[Mn+2].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.2C5H8O2.Mn/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-4(6)3-5(2)7;/h1-8H;2*3,6H,1-2H3;/q;;;+2/p-2/b;2*4-3-;
InChIKeyVNPYPIGXSCDEMB-QDMRRLORSA-L
XLogP2.46
TPSA106.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.37
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

acetic acid;palladium;bis(1,10-phenanthroline)
CID 11261760
lead(2+);1,10-phenanthroline;acetate;benzoate;hydrate
CID 139077114
1,10-phenanthroline-2-carboxylate;terbium(3+)
CID 161309891
bis(1,10-phenanthroline-2-carboxylate);ruthenium(2+)
CID 175903843
lithium 1,10-phenanthroline-2-carboxylate
CID 158215060
copper;quinolin-8-ol;diacetate
CID 161290532
(E)-but-2-enedioate;bis(lead(2+));tetrakis(1,10-phenanthroline);dinitrate
CID 139207244
acetic acid;bis(tert-butyl(hydroxy)phosphinate);manganese(2+);bis(1,10-phenanthroline)
CID 139149043
europium(3+);tris((E)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline
CID 131675766
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
osmium;tris(1,10-phenanthroline)
CID 14251798

Frequently Asked Questions

What is the IUPAC name of manganese(2+);bis((Z)-4-oxopent-2-en-2-olate);1,10-phenanthroline?
The IUPAC name of manganese(2+);bis((Z)-4-oxopent-2-en-2-olate);1,10-phenanthroline (CID 139086176) is manganese(2+);bis((Z)-4-oxopent-2-en-2-olate);1,10-phenanthroline.
What is the SMILES notation for manganese(2+);bis((Z)-4-oxopent-2-en-2-olate);1,10-phenanthroline?
The canonical SMILES for manganese(2+);bis((Z)-4-oxopent-2-en-2-olate);1,10-phenanthroline is CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].[Mn+2].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of manganese(2+);bis((Z)-4-oxopent-2-en-2-olate);1,10-phenanthroline?
The InChIKey is VNPYPIGXSCDEMB-QDMRRLORSA-L. The full InChI is InChI=1S/C12H8N2.2C5H8O2.Mn/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-4(6)3-5(2)7;/h1-8H;2*3,6H,1-2H3;/q;;;+2/p-2/b;2*4-3-;.
What are the key properties of manganese(2+);bis((Z)-4-oxopent-2-en-2-olate);1,10-phenanthroline?
manganese(2+);bis((Z)-4-oxopent-2-en-2-olate);1,10-phenanthroline has a molecular weight of 433.37 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(2+);bis((Z)-4-oxopent-2-en-2-olate);1,10-phenanthroline is sourced from PubChem (CID 139086176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).