N-acetylacetamide;zinc

C4H7NO2Zn — CID 175572711

IUPACN-acetylacetamide;zinc
SMILESCC(=O)NC(C)=O.[Zn]
InChIInChI=1S/C4H7NO2.Zn/c1-3(6)5-4(2)7;/h1-2H3,(H,5,6,7);
InChIKeyUHHOKCBNYFOEIB-UHFFFAOYSA-N
MW166.49 g/mol
LogP-0.33
Rot. Bonds

About N-acetylacetamide;zinc

N-acetylacetamide;zinc (PubChem CID 175572711) has the molecular formula C4H7NO2Zn and a molecular weight of 166.49 g/mol. Its IUPAC name is N-acetylacetamide;zinc.

Molecular Properties

Compound NameN-acetylacetamide;zinc
PubChem CID175572711
Molecular FormulaC4H7NO2Zn
Molecular Weight166.49 g/mol
Exact Mass164.98
IUPAC NameN-acetylacetamide;zinc
SMILESCC(=O)NC(C)=O.[Zn]
InChIInChI=1S/C4H7NO2.Zn/c1-3(6)5-4(2)7;/h1-2H3,(H,5,6,7);
InChIKeyUHHOKCBNYFOEIB-UHFFFAOYSA-N
XLogP-0.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.49
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-acetylacetamide;zinc?
The IUPAC name of N-acetylacetamide;zinc (CID 175572711) is N-acetylacetamide;zinc.
What is the SMILES notation for N-acetylacetamide;zinc?
The canonical SMILES for N-acetylacetamide;zinc is CC(=O)NC(C)=O.[Zn].
What is the InChIKey of N-acetylacetamide;zinc?
The InChIKey is UHHOKCBNYFOEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2.Zn/c1-3(6)5-4(2)7;/h1-2H3,(H,5,6,7);.
What are the key properties of N-acetylacetamide;zinc?
N-acetylacetamide;zinc has a molecular weight of 166.49 g/mol, XLogP of -0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetylacetamide;zinc is sourced from PubChem (CID 175572711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).