magnesium;2-methanidylprop-2-en-1-ol;bromide

C4H7BrMgO — CID 11148029

IUPACmagnesium;2-methanidylprop-2-en-1-ol;bromide
SMILESC=C([CH2-])CO.[Br-].[Mg+2]
InChIInChI=1S/C4H7O.BrH.Mg/c1-4(2)3-5;;/h5H,1-3H2;1H;/q-1;;+2/p-1
InChIKeyPBMUZLFGAIYCOX-UHFFFAOYSA-M
MW175.31 g/mol
LogP-3.01
Rot. Bonds1

About magnesium;2-methanidylprop-2-en-1-ol;bromide

magnesium;2-methanidylprop-2-en-1-ol;bromide (PubChem CID 11148029) has the molecular formula C4H7BrMgO and a molecular weight of 175.31 g/mol. Its IUPAC name is magnesium;2-methanidylprop-2-en-1-ol;bromide.

Molecular Properties

Compound Namemagnesium;2-methanidylprop-2-en-1-ol;bromide
PubChem CID11148029
Molecular FormulaC4H7BrMgO
Molecular Weight175.31 g/mol
Exact Mass173.95
IUPAC Namemagnesium;2-methanidylprop-2-en-1-ol;bromide
SMILESC=C([CH2-])CO.[Br-].[Mg+2]
InChIInChI=1S/C4H7O.BrH.Mg/c1-4(2)3-5;;/h5H,1-3H2;1H;/q-1;;+2/p-1
InChIKeyPBMUZLFGAIYCOX-UHFFFAOYSA-M
XLogP-3.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.31
LogP ≤ 5-3.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of magnesium;2-methanidylprop-2-en-1-ol;bromide?
The IUPAC name of magnesium;2-methanidylprop-2-en-1-ol;bromide (CID 11148029) is magnesium;2-methanidylprop-2-en-1-ol;bromide.
What is the SMILES notation for magnesium;2-methanidylprop-2-en-1-ol;bromide?
The canonical SMILES for magnesium;2-methanidylprop-2-en-1-ol;bromide is C=C([CH2-])CO.[Br-].[Mg+2].
What is the InChIKey of magnesium;2-methanidylprop-2-en-1-ol;bromide?
The InChIKey is PBMUZLFGAIYCOX-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H7O.BrH.Mg/c1-4(2)3-5;;/h5H,1-3H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;2-methanidylprop-2-en-1-ol;bromide?
magnesium;2-methanidylprop-2-en-1-ol;bromide has a molecular weight of 175.31 g/mol, XLogP of -3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-methanidylprop-2-en-1-ol;bromide is sourced from PubChem (CID 11148029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).