magnesium;2-hydroxyethanone;2-methanidyl-2-methylpropane;hydrochloride

C7H15ClMgO2 — CID 174998583

IUPACmagnesium;2-hydroxyethanone;2-methanidyl-2-methylpropane;hydrochloride
SMILESCl.O=[C-]CO.[CH2-]C(C)(C)C.[Mg+2]
InChIInChI=1S/C5H11.C2H3O2.ClH.Mg/c1-5(2,3)4;3-1-2-4;;/h1H2,2-4H3;3H,1H2;1H;/q2*-1;;+2
InChIKeyXVLKRDCOCRMACX-UHFFFAOYSA-N
MW190.95 g/mol
LogP1.00
Rot. Bonds1

About magnesium;2-hydroxyethanone;2-methanidyl-2-methylpropane;hydrochloride

magnesium;2-hydroxyethanone;2-methanidyl-2-methylpropane;hydrochloride (PubChem CID 174998583) has the molecular formula C7H15ClMgO2 and a molecular weight of 190.95 g/mol. Its IUPAC name is magnesium;2-hydroxyethanone;2-methanidyl-2-methylpropane;hydrochloride.

Molecular Properties

Compound Namemagnesium;2-hydroxyethanone;2-methanidyl-2-methylpropane;hydrochloride
PubChem CID174998583
Molecular FormulaC7H15ClMgO2
Molecular Weight190.95 g/mol
Exact Mass190.06
IUPAC Namemagnesium;2-hydroxyethanone;2-methanidyl-2-methylpropane;hydrochloride
SMILESCl.O=[C-]CO.[CH2-]C(C)(C)C.[Mg+2]
InChIInChI=1S/C5H11.C2H3O2.ClH.Mg/c1-5(2,3)4;3-1-2-4;;/h1H2,2-4H3;3H,1H2;1H;/q2*-1;;+2
InChIKeyXVLKRDCOCRMACX-UHFFFAOYSA-N
XLogP1.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.95
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze magnesium;2-hydroxyethanone;2-methanidyl-2-methylpropane;hydrochloride 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 magnesium;2-hydroxyethanone;2-methanidyl-2-methylpropane;hydrochloride?
The IUPAC name of magnesium;2-hydroxyethanone;2-methanidyl-2-methylpropane;hydrochloride (CID 174998583) is magnesium;2-hydroxyethanone;2-methanidyl-2-methylpropane;hydrochloride.
What is the SMILES notation for magnesium;2-hydroxyethanone;2-methanidyl-2-methylpropane;hydrochloride?
The canonical SMILES for magnesium;2-hydroxyethanone;2-methanidyl-2-methylpropane;hydrochloride is Cl.O=[C-]CO.[CH2-]C(C)(C)C.[Mg+2].
What is the InChIKey of magnesium;2-hydroxyethanone;2-methanidyl-2-methylpropane;hydrochloride?
The InChIKey is XVLKRDCOCRMACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11.C2H3O2.ClH.Mg/c1-5(2,3)4;3-1-2-4;;/h1H2,2-4H3;3H,1H2;1H;/q2*-1;;+2.
What are the key properties of magnesium;2-hydroxyethanone;2-methanidyl-2-methylpropane;hydrochloride?
magnesium;2-hydroxyethanone;2-methanidyl-2-methylpropane;hydrochloride has a molecular weight of 190.95 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-hydroxyethanone;2-methanidyl-2-methylpropane;hydrochloride is sourced from PubChem (CID 174998583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).