[2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;palladium(2+);hydroxide

C9H13N3O4Pd+2 — CID 50911188

IUPAC[2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;palladium(2+);hydroxide
SMILESCOc1cccc(C=NNC(N)=O)c1[OH2+].[OH-].[Pd+2]
InChIInChI=1S/C9H11N3O3.H2O.Pd/c1-15-7-4-2-3-6(8(7)13)5-11-12-9(10)14;;/h2-5,13H,1H3,(H3,10,12,14);1H2;/q;;+2
InChIKeyOGRCBMRIUMVZGI-UHFFFAOYSA-N
MW333.64 g/mol
LogP-0.04
Rot. Bonds3

About [2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;palladium(2+);hydroxide

[2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;palladium(2+);hydroxide (PubChem CID 50911188) has the molecular formula C9H13N3O4Pd+2 and a molecular weight of 333.64 g/mol. Its IUPAC name is [2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;palladium(2+);hydroxide.

Molecular Properties

Compound Name[2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;palladium(2+);hydroxide
PubChem CID50911188
Molecular FormulaC9H13N3O4Pd+2
Molecular Weight333.64 g/mol
Exact Mass332.99
IUPAC Name[2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;palladium(2+);hydroxide
SMILESCOc1cccc(C=NNC(N)=O)c1[OH2+].[OH-].[Pd+2]
InChIInChI=1S/C9H11N3O3.H2O.Pd/c1-15-7-4-2-3-6(8(7)13)5-11-12-9(10)14;;/h2-5,13H,1H3,(H3,10,12,14);1H2;/q;;+2
InChIKeyOGRCBMRIUMVZGI-UHFFFAOYSA-N
XLogP-0.04
TPSA129.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.64
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

copper;[2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;pyridine
CID 50910692
[2-[(carbamothioylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;platinum(2+)
CID 50910386
[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135666337
manganese(2+);[2-methoxy-6-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]oxidanium
CID 50910170
cobalt;[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea;pyridine;hydrate
CID 135484834
[[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea
CID 91157967
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766974
[(E)-[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 110340334
[(Z)-(4,5-dimethoxy-2-methylphenyl)methylideneamino]urea
CID 124643941
copper;2-[[2-[(3-methoxy-2-oxoniophenyl)methylidene]hydrazinyl]-oxoniumylidenemethyl]phenolate;hydroxide
CID 3876946
[(Z)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 112538716
[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 168532736

Frequently Asked Questions

What is the IUPAC name of [2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;palladium(2+);hydroxide?
The IUPAC name of [2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;palladium(2+);hydroxide (CID 50911188) is [2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;palladium(2+);hydroxide.
What is the SMILES notation for [2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;palladium(2+);hydroxide?
The canonical SMILES for [2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;palladium(2+);hydroxide is COc1cccc(C=NNC(N)=O)c1[OH2+].[OH-].[Pd+2].
What is the InChIKey of [2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;palladium(2+);hydroxide?
The InChIKey is OGRCBMRIUMVZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3.H2O.Pd/c1-15-7-4-2-3-6(8(7)13)5-11-12-9(10)14;;/h2-5,13H,1H3,(H3,10,12,14);1H2;/q;;+2.
What are the key properties of [2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;palladium(2+);hydroxide?
[2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;palladium(2+);hydroxide has a molecular weight of 333.64 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenyl]oxidanium;palladium(2+);hydroxide is sourced from PubChem (CID 50911188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).