chloropalladium(1+);(NE)-N-(1-phenylethylidene)hydroxylamine

C8H8ClNOPd — CID 134971514

IUPACchloropalladium(1+);(NE)-N-(1-phenylethylidene)hydroxylamine
SMILESC/C(=N\O)c1[c-]cccc1.Cl[Pd+]
InChIInChI=1S/C8H8NO.ClH.Pd/c1-7(9-10)8-5-3-2-4-6-8;;/h2-5,10H,1H3;1H;/q-1;;+2/p-1/b9-7+;;
InChIKeyAIAUHSUCBYJNOP-OJYIHNBOSA-M
MW276.03 g/mol
LogP2.37
Rot. Bonds1

About chloropalladium(1+);(NE)-N-(1-phenylethylidene)hydroxylamine

chloropalladium(1+);(NE)-N-(1-phenylethylidene)hydroxylamine (PubChem CID 134971514) has the molecular formula C8H8ClNOPd and a molecular weight of 276.03 g/mol. Its IUPAC name is chloropalladium(1+);(NE)-N-(1-phenylethylidene)hydroxylamine.

Molecular Properties

Compound Namechloropalladium(1+);(NE)-N-(1-phenylethylidene)hydroxylamine
PubChem CID134971514
Molecular FormulaC8H8ClNOPd
Molecular Weight276.03 g/mol
Exact Mass274.93
IUPAC Namechloropalladium(1+);(NE)-N-(1-phenylethylidene)hydroxylamine
SMILESC/C(=N\O)c1[c-]cccc1.Cl[Pd+]
InChIInChI=1S/C8H8NO.ClH.Pd/c1-7(9-10)8-5-3-2-4-6-8;;/h2-5,10H,1H3;1H;/q-1;;+2/p-1/b9-7+;;
InChIKeyAIAUHSUCBYJNOP-OJYIHNBOSA-M
XLogP2.37
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.03
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloropalladium(1+);(NE)-N-(1-phenylethylidene)hydroxylamine?
The IUPAC name of chloropalladium(1+);(NE)-N-(1-phenylethylidene)hydroxylamine (CID 134971514) is chloropalladium(1+);(NE)-N-(1-phenylethylidene)hydroxylamine.
What is the SMILES notation for chloropalladium(1+);(NE)-N-(1-phenylethylidene)hydroxylamine?
The canonical SMILES for chloropalladium(1+);(NE)-N-(1-phenylethylidene)hydroxylamine is C/C(=N\O)c1[c-]cccc1.Cl[Pd+].
What is the InChIKey of chloropalladium(1+);(NE)-N-(1-phenylethylidene)hydroxylamine?
The InChIKey is AIAUHSUCBYJNOP-OJYIHNBOSA-M. The full InChI is InChI=1S/C8H8NO.ClH.Pd/c1-7(9-10)8-5-3-2-4-6-8;;/h2-5,10H,1H3;1H;/q-1;;+2/p-1/b9-7+;;.
What are the key properties of chloropalladium(1+);(NE)-N-(1-phenylethylidene)hydroxylamine?
chloropalladium(1+);(NE)-N-(1-phenylethylidene)hydroxylamine has a molecular weight of 276.03 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloropalladium(1+);(NE)-N-(1-phenylethylidene)hydroxylamine is sourced from PubChem (CID 134971514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).