magnesium;1-(4-methylphenyl)but-3-enylideneazanide;chloride

C11H12ClMgN — CID 10082087

IUPACmagnesium;1-(4-methylphenyl)but-3-enylideneazanide;chloride
SMILESC=CCC(=[N-])c1ccc(C)cc1.[Cl-].[Mg+2]
InChIInChI=1S/C11H12N.ClH.Mg/c1-3-4-11(12)10-7-5-9(2)6-8-10;;/h3,5-8H,1,4H2,2H3;1H;/q-1;;+2/p-1
InChIKeyGGVKLJAXUPXBRM-UHFFFAOYSA-M
MW217.98 g/mol
LogP-0.45
Rot. Bonds3

About magnesium;1-(4-methylphenyl)but-3-enylideneazanide;chloride

magnesium;1-(4-methylphenyl)but-3-enylideneazanide;chloride (PubChem CID 10082087) has the molecular formula C11H12ClMgN and a molecular weight of 217.98 g/mol. Its IUPAC name is magnesium;1-(4-methylphenyl)but-3-enylideneazanide;chloride.

Molecular Properties

Compound Namemagnesium;1-(4-methylphenyl)but-3-enylideneazanide;chloride
PubChem CID10082087
Molecular FormulaC11H12ClMgN
Molecular Weight217.98 g/mol
Exact Mass217.05
IUPAC Namemagnesium;1-(4-methylphenyl)but-3-enylideneazanide;chloride
SMILESC=CCC(=[N-])c1ccc(C)cc1.[Cl-].[Mg+2]
InChIInChI=1S/C11H12N.ClH.Mg/c1-3-4-11(12)10-7-5-9(2)6-8-10;;/h3,5-8H,1,4H2,2H3;1H;/q-1;;+2/p-1
InChIKeyGGVKLJAXUPXBRM-UHFFFAOYSA-M
XLogP-0.45
TPSA22.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.98
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze magnesium;1-(4-methylphenyl)but-3-enylideneazanide;chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimagnesium;1-[4-(1-azanidylidenebut-3-enyl)phenyl]but-3-enylideneazanide;dichloride
CID 10426734
magnesium;1-phenylbut-3-enylideneazanide;chloride
CID 10013141
azane;1-methyl-4-(2-methylhexa-2,5-dien-3-yl)benzene;hydrochloride
CID 174764098
1-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]-4-methylbenzene
CID 143819609
1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene
CID 169013280
1-[(1E)-1-chloro-2-(4-methylphenyl)sulfonylpenta-1,4-dienyl]-4-methylbenzene
CID 132603640
1-methyl-4-[4-[(2E)-penta-2,4-dien-2-yl]phenyl]benzene;propane
CID 145212384
1-methyl-4-(4-prop-1-en-2-ylphenyl)benzene
CID 20594776
4-(4-methylphenyl)hepta-1,6-dien-4-ol
CID 12982478
1-[(3E)-3-ethylidene-2-methylhex-5-en-2-yl]-4-methylbenzene
CID 145272327
ethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene
CID 91583110
1-hexa-2,5-dien-3-yl-4-phenylbenzene
CID 173362855

Frequently Asked Questions

What is the IUPAC name of magnesium;1-(4-methylphenyl)but-3-enylideneazanide;chloride?
The IUPAC name of magnesium;1-(4-methylphenyl)but-3-enylideneazanide;chloride (CID 10082087) is magnesium;1-(4-methylphenyl)but-3-enylideneazanide;chloride.
What is the SMILES notation for magnesium;1-(4-methylphenyl)but-3-enylideneazanide;chloride?
The canonical SMILES for magnesium;1-(4-methylphenyl)but-3-enylideneazanide;chloride is C=CCC(=[N-])c1ccc(C)cc1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;1-(4-methylphenyl)but-3-enylideneazanide;chloride?
The InChIKey is GGVKLJAXUPXBRM-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H12N.ClH.Mg/c1-3-4-11(12)10-7-5-9(2)6-8-10;;/h3,5-8H,1,4H2,2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-(4-methylphenyl)but-3-enylideneazanide;chloride?
magnesium;1-(4-methylphenyl)but-3-enylideneazanide;chloride has a molecular weight of 217.98 g/mol, XLogP of -0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-(4-methylphenyl)but-3-enylideneazanide;chloride is sourced from PubChem (CID 10082087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).