4-oxopentanamide;zirconium

C5H9NO2Zr — CID 174464202

IUPAC4-oxopentanamide;zirconium
SMILESCC(=O)CCC(N)=O.[Zr]
InChIInChI=1S/C5H9NO2.Zr/c1-4(7)2-3-5(6)8;/h2-3H2,1H3,(H2,6,8);
InChIKeyCXYGQGFLPBDZRJ-UHFFFAOYSA-N
MW206.36 g/mol
LogP-0.16
Rot. Bonds3

About 4-oxopentanamide;zirconium

4-oxopentanamide;zirconium (PubChem CID 174464202) has the molecular formula C5H9NO2Zr and a molecular weight of 206.36 g/mol. Its IUPAC name is 4-oxopentanamide;zirconium.

Molecular Properties

Compound Name4-oxopentanamide;zirconium
PubChem CID174464202
Molecular FormulaC5H9NO2Zr
Molecular Weight206.36 g/mol
Exact Mass204.97
IUPAC Name4-oxopentanamide;zirconium
SMILESCC(=O)CCC(N)=O.[Zr]
InChIInChI=1S/C5H9NO2.Zr/c1-4(7)2-3-5(6)8;/h2-3H2,1H3,(H2,6,8);
InChIKeyCXYGQGFLPBDZRJ-UHFFFAOYSA-N
XLogP-0.16
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.36
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-oxopentanamide;zirconium?
The IUPAC name of 4-oxopentanamide;zirconium (CID 174464202) is 4-oxopentanamide;zirconium.
What is the SMILES notation for 4-oxopentanamide;zirconium?
The canonical SMILES for 4-oxopentanamide;zirconium is CC(=O)CCC(N)=O.[Zr].
What is the InChIKey of 4-oxopentanamide;zirconium?
The InChIKey is CXYGQGFLPBDZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.Zr/c1-4(7)2-3-5(6)8;/h2-3H2,1H3,(H2,6,8);.
What are the key properties of 4-oxopentanamide;zirconium?
4-oxopentanamide;zirconium has a molecular weight of 206.36 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxopentanamide;zirconium is sourced from PubChem (CID 174464202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).