manganese(2+);bis(5-methylpyridin-2-amine);bis((Z)-3-oxo-1-phenylbut-1-en-1-olate)

C32H34MnN4O4 — CID 139197073

IUPACmanganese(2+);bis(5-methylpyridin-2-amine);bis((Z)-3-oxo-1-phenylbut-1-en-1-olate)
SMILESCC(=O)/C=C(\[O-])c1ccccc1.CC(=O)/C=C(\[O-])c1ccccc1.Cc1ccc(N)nc1.Cc1ccc(N)nc1.[Mn+2]
InChIInChI=1S/2C10H10O2.2C6H8N2.Mn/c2*1-8(11)7-10(12)9-5-3-2-4-6-9;2*1-5-2-3-6(7)8-4-5;/h2*2-7,12H,1H3;2*2-4H,1H3,(H2,7,8);/q;;;;+2/p-2/b2*10-7-;;;
InChIKeyFQKPQPUASUUXCI-JPFZJSEDSA-L
MW593.59 g/mol
LogP3.90
Rot. Bonds4

About manganese(2+);bis(5-methylpyridin-2-amine);bis((Z)-3-oxo-1-phenylbut-1-en-1-olate)

manganese(2+);bis(5-methylpyridin-2-amine);bis((Z)-3-oxo-1-phenylbut-1-en-1-olate) (PubChem CID 139197073) has the molecular formula C32H34MnN4O4 and a molecular weight of 593.59 g/mol. Its IUPAC name is manganese(2+);bis(5-methylpyridin-2-amine);bis((Z)-3-oxo-1-phenylbut-1-en-1-olate).

Molecular Properties

Compound Namemanganese(2+);bis(5-methylpyridin-2-amine);bis((Z)-3-oxo-1-phenylbut-1-en-1-olate)
PubChem CID139197073
Molecular FormulaC32H34MnN4O4
Molecular Weight593.59 g/mol
Exact Mass593.20
IUPAC Namemanganese(2+);bis(5-methylpyridin-2-amine);bis((Z)-3-oxo-1-phenylbut-1-en-1-olate)
SMILESCC(=O)/C=C(\[O-])c1ccccc1.CC(=O)/C=C(\[O-])c1ccccc1.Cc1ccc(N)nc1.Cc1ccc(N)nc1.[Mn+2]
InChIInChI=1S/2C10H10O2.2C6H8N2.Mn/c2*1-8(11)7-10(12)9-5-3-2-4-6-9;2*1-5-2-3-6(7)8-4-5;/h2*2-7,12H,1H3;2*2-4H,1H3,(H2,7,8);/q;;;;+2/p-2/b2*10-7-;;;
InChIKeyFQKPQPUASUUXCI-JPFZJSEDSA-L
XLogP3.90
TPSA158.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.59
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of manganese(2+);bis(5-methylpyridin-2-amine);bis((Z)-3-oxo-1-phenylbut-1-en-1-olate)?
The IUPAC name of manganese(2+);bis(5-methylpyridin-2-amine);bis((Z)-3-oxo-1-phenylbut-1-en-1-olate) (CID 139197073) is manganese(2+);bis(5-methylpyridin-2-amine);bis((Z)-3-oxo-1-phenylbut-1-en-1-olate).
What is the SMILES notation for manganese(2+);bis(5-methylpyridin-2-amine);bis((Z)-3-oxo-1-phenylbut-1-en-1-olate)?
The canonical SMILES for manganese(2+);bis(5-methylpyridin-2-amine);bis((Z)-3-oxo-1-phenylbut-1-en-1-olate) is CC(=O)/C=C(\[O-])c1ccccc1.CC(=O)/C=C(\[O-])c1ccccc1.Cc1ccc(N)nc1.Cc1ccc(N)nc1.[Mn+2].
What is the InChIKey of manganese(2+);bis(5-methylpyridin-2-amine);bis((Z)-3-oxo-1-phenylbut-1-en-1-olate)?
The InChIKey is FQKPQPUASUUXCI-JPFZJSEDSA-L. The full InChI is InChI=1S/2C10H10O2.2C6H8N2.Mn/c2*1-8(11)7-10(12)9-5-3-2-4-6-9;2*1-5-2-3-6(7)8-4-5;/h2*2-7,12H,1H3;2*2-4H,1H3,(H2,7,8);/q;;;;+2/p-2/b2*10-7-;;;.
What are the key properties of manganese(2+);bis(5-methylpyridin-2-amine);bis((Z)-3-oxo-1-phenylbut-1-en-1-olate)?
manganese(2+);bis(5-methylpyridin-2-amine);bis((Z)-3-oxo-1-phenylbut-1-en-1-olate) has a molecular weight of 593.59 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(2+);bis(5-methylpyridin-2-amine);bis((Z)-3-oxo-1-phenylbut-1-en-1-olate) is sourced from PubChem (CID 139197073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).