acetic acid;ethenyl acetate;guanidine;palladium

C7H15N3O4Pd — CID 174359280

IUPACacetic acid;ethenyl acetate;guanidine;palladium
SMILESC=COC(C)=O.CC(=O)O.[H]N=C(N)N.[Pd]
InChIInChI=1S/C4H6O2.C2H4O2.CH5N3.Pd/c1-3-6-4(2)5;1-2(3)4;2-1(3)4;/h3H,1H2,2H3;1H3,(H,3,4);(H5,2,3,4);
InChIKeyINBBHAXQXZIGMB-UHFFFAOYSA-N
MW311.63 g/mol
LogP-0.38
Rot. Bonds1

About acetic acid;ethenyl acetate;guanidine;palladium

acetic acid;ethenyl acetate;guanidine;palladium (PubChem CID 174359280) has the molecular formula C7H15N3O4Pd and a molecular weight of 311.63 g/mol. Its IUPAC name is acetic acid;ethenyl acetate;guanidine;palladium.

Molecular Properties

Compound Nameacetic acid;ethenyl acetate;guanidine;palladium
PubChem CID174359280
Molecular FormulaC7H15N3O4Pd
Molecular Weight311.63 g/mol
Exact Mass311.01
IUPAC Nameacetic acid;ethenyl acetate;guanidine;palladium
SMILESC=COC(C)=O.CC(=O)O.[H]N=C(N)N.[Pd]
InChIInChI=1S/C4H6O2.C2H4O2.CH5N3.Pd/c1-3-6-4(2)5;1-2(3)4;2-1(3)4;/h3H,1H2,2H3;1H3,(H,3,4);(H5,2,3,4);
InChIKeyINBBHAXQXZIGMB-UHFFFAOYSA-N
XLogP-0.38
TPSA139.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.63
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetic acid;ethenyl acetate;guanidine;palladium?
The IUPAC name of acetic acid;ethenyl acetate;guanidine;palladium (CID 174359280) is acetic acid;ethenyl acetate;guanidine;palladium.
What is the SMILES notation for acetic acid;ethenyl acetate;guanidine;palladium?
The canonical SMILES for acetic acid;ethenyl acetate;guanidine;palladium is C=COC(C)=O.CC(=O)O.[H]N=C(N)N.[Pd].
What is the InChIKey of acetic acid;ethenyl acetate;guanidine;palladium?
The InChIKey is INBBHAXQXZIGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C2H4O2.CH5N3.Pd/c1-3-6-4(2)5;1-2(3)4;2-1(3)4;/h3H,1H2,2H3;1H3,(H,3,4);(H5,2,3,4);.
What are the key properties of acetic acid;ethenyl acetate;guanidine;palladium?
acetic acid;ethenyl acetate;guanidine;palladium has a molecular weight of 311.63 g/mol, XLogP of -0.38, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethenyl acetate;guanidine;palladium is sourced from PubChem (CID 174359280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).