N-(4-chlorophenyl)-1-cyclopenta-1,3-dien-1-ylethanimine;mercury(1+);chloride

C13H12Cl2HgN — CID 101246102

IUPACN-(4-chlorophenyl)-1-cyclopenta-1,3-dien-1-ylethanimine;mercury(1+);chloride
SMILESC/C(=N\c1ccc(Cl)cc1)C1=CC=CC1.[Cl-].[Hg+]
InChIInChI=1S/C13H12ClN.ClH.Hg/c1-10(11-4-2-3-5-11)15-13-8-6-12(14)7-9-13;;/h2-4,6-9H,5H2,1H3;1H;/q;;+1/p-1/b15-10+;;
InChIKeyVRMGICUQYTVMIJ-OVWKBUNZSA-M
MW453.74 g/mol
LogP1.32
Rot. Bonds2

About N-(4-chlorophenyl)-1-cyclopenta-1,3-dien-1-ylethanimine;mercury(1+);chloride

N-(4-chlorophenyl)-1-cyclopenta-1,3-dien-1-ylethanimine;mercury(1+);chloride (PubChem CID 101246102) has the molecular formula C13H12Cl2HgN and a molecular weight of 453.74 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-cyclopenta-1,3-dien-1-ylethanimine;mercury(1+);chloride.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-cyclopenta-1,3-dien-1-ylethanimine;mercury(1+);chloride
PubChem CID101246102
Molecular FormulaC13H12Cl2HgN
Molecular Weight453.74 g/mol
Exact Mass454.01
IUPAC NameN-(4-chlorophenyl)-1-cyclopenta-1,3-dien-1-ylethanimine;mercury(1+);chloride
SMILESC/C(=N\c1ccc(Cl)cc1)C1=CC=CC1.[Cl-].[Hg+]
InChIInChI=1S/C13H12ClN.ClH.Hg/c1-10(11-4-2-3-5-11)15-13-8-6-12(14)7-9-13;;/h2-4,6-9H,5H2,1H3;1H;/q;;+1/p-1/b15-10+;;
InChIKeyVRMGICUQYTVMIJ-OVWKBUNZSA-M
XLogP1.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.74
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-1-cyclopenta-1,3-dien-1-ylethanimine
CID 15244462
N-(4-chlorophenyl)-1-pyridin-2-ylethanimine
CID 15815211
N-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 139245860
CID 101460494
CID 101460494
4-N-(4-chlorophenyl)-2-N-phenylpentane-2,4-diimine
CID 126613651
(Z)-3-amino-N'-(4-chlorophenyl)-2-methylprop-2-enimidamide
CID 89361248
4-chloro-N'-(4-chlorophenyl)benzenecarboximidamide
CID 11737167
bis(2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine);cyclohexane
CID 70021727
N-[2-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-4-fluorophenyl]-4-fluorobenzamide
CID 134094152
1-[4-chloro-6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;vanadium;trichloride
CID 173243751
N'-(4-chlorophenyl)-3-methylbutanimidamide
CID 22285644
N-[N-(4-chlorophenyl)-C-ethylcarbonimidoyl]-N-methylcarbamoyl chloride
CID 54331988

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-cyclopenta-1,3-dien-1-ylethanimine;mercury(1+);chloride?
The IUPAC name of N-(4-chlorophenyl)-1-cyclopenta-1,3-dien-1-ylethanimine;mercury(1+);chloride (CID 101246102) is N-(4-chlorophenyl)-1-cyclopenta-1,3-dien-1-ylethanimine;mercury(1+);chloride.
What is the SMILES notation for N-(4-chlorophenyl)-1-cyclopenta-1,3-dien-1-ylethanimine;mercury(1+);chloride?
The canonical SMILES for N-(4-chlorophenyl)-1-cyclopenta-1,3-dien-1-ylethanimine;mercury(1+);chloride is C/C(=N\c1ccc(Cl)cc1)C1=CC=CC1.[Cl-].[Hg+].
What is the InChIKey of N-(4-chlorophenyl)-1-cyclopenta-1,3-dien-1-ylethanimine;mercury(1+);chloride?
The InChIKey is VRMGICUQYTVMIJ-OVWKBUNZSA-M. The full InChI is InChI=1S/C13H12ClN.ClH.Hg/c1-10(11-4-2-3-5-11)15-13-8-6-12(14)7-9-13;;/h2-4,6-9H,5H2,1H3;1H;/q;;+1/p-1/b15-10+;;.
What are the key properties of N-(4-chlorophenyl)-1-cyclopenta-1,3-dien-1-ylethanimine;mercury(1+);chloride?
N-(4-chlorophenyl)-1-cyclopenta-1,3-dien-1-ylethanimine;mercury(1+);chloride has a molecular weight of 453.74 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-cyclopenta-1,3-dien-1-ylethanimine;mercury(1+);chloride is sourced from PubChem (CID 101246102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).