magnesium;1-phenylbut-3-enylideneazanide;chloride

C10H10ClMgN — CID 10013141

IUPACmagnesium;1-phenylbut-3-enylideneazanide;chloride
SMILESC=CCC(=[N-])c1ccccc1.[Cl-].[Mg+2]
InChIInChI=1S/C10H10N.ClH.Mg/c1-2-6-10(11)9-7-4-3-5-8-9;;/h2-5,7-8H,1,6H2;1H;/q-1;;+2/p-1
InChIKeyACAWLYVGRAEAGO-UHFFFAOYSA-M
MW203.96 g/mol
LogP-0.76
Rot. Bonds3

About magnesium;1-phenylbut-3-enylideneazanide;chloride

magnesium;1-phenylbut-3-enylideneazanide;chloride (PubChem CID 10013141) has the molecular formula C10H10ClMgN and a molecular weight of 203.96 g/mol. Its IUPAC name is magnesium;1-phenylbut-3-enylideneazanide;chloride.

Molecular Properties

Compound Namemagnesium;1-phenylbut-3-enylideneazanide;chloride
PubChem CID10013141
Molecular FormulaC10H10ClMgN
Molecular Weight203.96 g/mol
Exact Mass203.04
IUPAC Namemagnesium;1-phenylbut-3-enylideneazanide;chloride
SMILESC=CCC(=[N-])c1ccccc1.[Cl-].[Mg+2]
InChIInChI=1S/C10H10N.ClH.Mg/c1-2-6-10(11)9-7-4-3-5-8-9;;/h2-5,7-8H,1,6H2;1H;/q-1;;+2/p-1
InChIKeyACAWLYVGRAEAGO-UHFFFAOYSA-M
XLogP-0.76
TPSA22.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.96
LogP ≤ 5-0.76
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-phenylbut-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-(4-methylphenyl)but-3-enylideneazanide;chloride
CID 10082087
1-phenylbut-3-ene-1-thione
CID 23072627
diphenylmethanone;1-phenylbut-3-en-1-one
CID 122640182
N,1-diphenylbut-3-en-1-imine
CID 12676193
[(1Z)-2-bromo-1-chloropenta-1,4-dienyl]benzene
CID 125477290
3-phenyl-N-(3-phenylhexa-2,5-dienyl)hexa-2,5-dien-1-amine
CID 130400295
N-hydroperoxy-1-phenylbut-3-en-1-imine
CID 87907141
(2E)-2-methyl-3-phenylhexa-2,5-dien-1-ol
CID 16751532
hydroxy-phenyl-bis(prop-2-enyl)-λ4-sulfane
CID 67830505
1-hexa-2,5-dien-3-yl-4-phenylbenzene
CID 173362855
[hydroxy(phenyl)methylidene]azanide
CID 139243855

Frequently Asked Questions

What is the IUPAC name of magnesium;1-phenylbut-3-enylideneazanide;chloride?
The IUPAC name of magnesium;1-phenylbut-3-enylideneazanide;chloride (CID 10013141) is magnesium;1-phenylbut-3-enylideneazanide;chloride.
What is the SMILES notation for magnesium;1-phenylbut-3-enylideneazanide;chloride?
The canonical SMILES for magnesium;1-phenylbut-3-enylideneazanide;chloride is C=CCC(=[N-])c1ccccc1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;1-phenylbut-3-enylideneazanide;chloride?
The InChIKey is ACAWLYVGRAEAGO-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10N.ClH.Mg/c1-2-6-10(11)9-7-4-3-5-8-9;;/h2-5,7-8H,1,6H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-phenylbut-3-enylideneazanide;chloride?
magnesium;1-phenylbut-3-enylideneazanide;chloride has a molecular weight of 203.96 g/mol, XLogP of -0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-phenylbut-3-enylideneazanide;chloride is sourced from PubChem (CID 10013141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).