magnesium;(Z,4R,7R)-7-hydroxy-1-[methoxy(methyl)amino]-1-oxooct-2-en-4-olate;bromide

C10H18BrMgNO4 — CID 134860902

IUPACmagnesium;(Z,4R,7R)-7-hydroxy-1-[methoxy(methyl)amino]-1-oxooct-2-en-4-olate;bromide
SMILESCON(C)C(=O)/C=C\[C@H]([O-])CC[C@@H](C)O.[Br-].[Mg+2]
InChIInChI=1S/C10H18NO4.BrH.Mg/c1-8(12)4-5-9(13)6-7-10(14)11(2)15-3;;/h6-9,12H,4-5H2,1-3H3;1H;/q-1;;+2/p-1/b7-6-;;/t8-,9-;;/m1../s1
InChIKeyUORIAZMHFFQQKL-JCBIYBAHSA-M
MW320.47 g/mol
LogP-3.92
Rot. Bonds6

About magnesium;(Z,4R,7R)-7-hydroxy-1-[methoxy(methyl)amino]-1-oxooct-2-en-4-olate;bromide

magnesium;(Z,4R,7R)-7-hydroxy-1-[methoxy(methyl)amino]-1-oxooct-2-en-4-olate;bromide (PubChem CID 134860902) has the molecular formula C10H18BrMgNO4 and a molecular weight of 320.47 g/mol. Its IUPAC name is magnesium;(Z,4R,7R)-7-hydroxy-1-[methoxy(methyl)amino]-1-oxooct-2-en-4-olate;bromide.

Molecular Properties

Compound Namemagnesium;(Z,4R,7R)-7-hydroxy-1-[methoxy(methyl)amino]-1-oxooct-2-en-4-olate;bromide
PubChem CID134860902
Molecular FormulaC10H18BrMgNO4
Molecular Weight320.47 g/mol
Exact Mass319.03
IUPAC Namemagnesium;(Z,4R,7R)-7-hydroxy-1-[methoxy(methyl)amino]-1-oxooct-2-en-4-olate;bromide
SMILESCON(C)C(=O)/C=C\[C@H]([O-])CC[C@@H](C)O.[Br-].[Mg+2]
InChIInChI=1S/C10H18NO4.BrH.Mg/c1-8(12)4-5-9(13)6-7-10(14)11(2)15-3;;/h6-9,12H,4-5H2,1-3H3;1H;/q-1;;+2/p-1/b7-6-;;/t8-,9-;;/m1../s1
InChIKeyUORIAZMHFFQQKL-JCBIYBAHSA-M
XLogP-3.92
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.47
LogP ≤ 5-3.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E,4S)-4-hydroxy-N-methoxy-N-methylnon-2-enamide
CID 11830847
(E,4R,5R)-4,5-dihydroxy-N-methoxy-N-methyloct-2-enamide
CID 49781632
(E,5R)-5-hydroxy-N-methoxy-N-methyloct-2-enamide
CID 49781847
4,5-dihydroxy-N-methoxy-N-methyloct-2-enamide
CID 75291951
(E)-7-hydroxy-N-methoxy-N-methyltridec-2-enamide
CID 10683549
(Z,4R,7R)-4,7-dihydroxy-N-methoxy-N-methyloct-2-enamide
CID 134860903

Frequently Asked Questions

What is the IUPAC name of magnesium;(Z,4R,7R)-7-hydroxy-1-[methoxy(methyl)amino]-1-oxooct-2-en-4-olate;bromide?
The IUPAC name of magnesium;(Z,4R,7R)-7-hydroxy-1-[methoxy(methyl)amino]-1-oxooct-2-en-4-olate;bromide (CID 134860902) is magnesium;(Z,4R,7R)-7-hydroxy-1-[methoxy(methyl)amino]-1-oxooct-2-en-4-olate;bromide.
What is the SMILES notation for magnesium;(Z,4R,7R)-7-hydroxy-1-[methoxy(methyl)amino]-1-oxooct-2-en-4-olate;bromide?
The canonical SMILES for magnesium;(Z,4R,7R)-7-hydroxy-1-[methoxy(methyl)amino]-1-oxooct-2-en-4-olate;bromide is CON(C)C(=O)/C=C\[C@H]([O-])CC[C@@H](C)O.[Br-].[Mg+2].
What is the InChIKey of magnesium;(Z,4R,7R)-7-hydroxy-1-[methoxy(methyl)amino]-1-oxooct-2-en-4-olate;bromide?
The InChIKey is UORIAZMHFFQQKL-JCBIYBAHSA-M. The full InChI is InChI=1S/C10H18NO4.BrH.Mg/c1-8(12)4-5-9(13)6-7-10(14)11(2)15-3;;/h6-9,12H,4-5H2,1-3H3;1H;/q-1;;+2/p-1/b7-6-;;/t8-,9-;;/m1../s1.
What are the key properties of magnesium;(Z,4R,7R)-7-hydroxy-1-[methoxy(methyl)amino]-1-oxooct-2-en-4-olate;bromide?
magnesium;(Z,4R,7R)-7-hydroxy-1-[methoxy(methyl)amino]-1-oxooct-2-en-4-olate;bromide has a molecular weight of 320.47 g/mol, XLogP of -3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;(Z,4R,7R)-7-hydroxy-1-[methoxy(methyl)amino]-1-oxooct-2-en-4-olate;bromide is sourced from PubChem (CID 134860902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).