magnesium;2-methanidylbut-1-ene;bromide

C5H9BrMg — CID 10888403

IUPACmagnesium;2-methanidylbut-1-ene;bromide
SMILESC=C([CH2-])CC.[Br-].[Mg+2]
InChIInChI=1S/C5H9.BrH.Mg/c1-4-5(2)3;;/h2-4H2,1H3;1H;/q-1;;+2/p-1
InChIKeyYXUONXQEJZXJSE-UHFFFAOYSA-M
MW173.34 g/mol
LogP-1.59
Rot. Bonds1

About magnesium;2-methanidylbut-1-ene;bromide

magnesium;2-methanidylbut-1-ene;bromide (PubChem CID 10888403) has the molecular formula C5H9BrMg and a molecular weight of 173.34 g/mol. Its IUPAC name is magnesium;2-methanidylbut-1-ene;bromide.

Molecular Properties

Compound Namemagnesium;2-methanidylbut-1-ene;bromide
PubChem CID10888403
Molecular FormulaC5H9BrMg
Molecular Weight173.34 g/mol
Exact Mass171.97
IUPAC Namemagnesium;2-methanidylbut-1-ene;bromide
SMILESC=C([CH2-])CC.[Br-].[Mg+2]
InChIInChI=1S/C5H9.BrH.Mg/c1-4-5(2)3;;/h2-4H2,1H3;1H;/q-1;;+2/p-1
InChIKeyYXUONXQEJZXJSE-UHFFFAOYSA-M
XLogP-1.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.34
LogP ≤ 5-1.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze magnesium;2-methanidylbut-1-ene;bromide 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-methanidylbut-1-ene;bromide?
The IUPAC name of magnesium;2-methanidylbut-1-ene;bromide (CID 10888403) is magnesium;2-methanidylbut-1-ene;bromide.
What is the SMILES notation for magnesium;2-methanidylbut-1-ene;bromide?
The canonical SMILES for magnesium;2-methanidylbut-1-ene;bromide is C=C([CH2-])CC.[Br-].[Mg+2].
What is the InChIKey of magnesium;2-methanidylbut-1-ene;bromide?
The InChIKey is YXUONXQEJZXJSE-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H9.BrH.Mg/c1-4-5(2)3;;/h2-4H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;2-methanidylbut-1-ene;bromide?
magnesium;2-methanidylbut-1-ene;bromide has a molecular weight of 173.34 g/mol, XLogP of -1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-methanidylbut-1-ene;bromide is sourced from PubChem (CID 10888403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).