butanamide;dichlorozirconium

C4H9Cl2NOZr — CID 175565621

IUPACbutanamide;dichlorozirconium
SMILESCCCC(N)=O.Cl[Zr]Cl
InChIInChI=1S/C4H9NO.2ClH.Zr/c1-2-3-4(5)6;;;/h2-3H2,1H3,(H2,5,6);2*1H;/q;;;+2/p-2
InChIKeyHQPVLZKLOWDGQY-UHFFFAOYSA-L
MW249.25 g/mol
LogP1.65
Rot. Bonds2

About butanamide;dichlorozirconium

butanamide;dichlorozirconium (PubChem CID 175565621) has the molecular formula C4H9Cl2NOZr and a molecular weight of 249.25 g/mol. Its IUPAC name is butanamide;dichlorozirconium.

Molecular Properties

Compound Namebutanamide;dichlorozirconium
PubChem CID175565621
Molecular FormulaC4H9Cl2NOZr
Molecular Weight249.25 g/mol
Exact Mass246.91
IUPAC Namebutanamide;dichlorozirconium
SMILESCCCC(N)=O.Cl[Zr]Cl
InChIInChI=1S/C4H9NO.2ClH.Zr/c1-2-3-4(5)6;;;/h2-3H2,1H3,(H2,5,6);2*1H;/q;;;+2/p-2
InChIKeyHQPVLZKLOWDGQY-UHFFFAOYSA-L
XLogP1.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of butanamide;dichlorozirconium?
The IUPAC name of butanamide;dichlorozirconium (CID 175565621) is butanamide;dichlorozirconium.
What is the SMILES notation for butanamide;dichlorozirconium?
The canonical SMILES for butanamide;dichlorozirconium is CCCC(N)=O.Cl[Zr]Cl.
What is the InChIKey of butanamide;dichlorozirconium?
The InChIKey is HQPVLZKLOWDGQY-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H9NO.2ClH.Zr/c1-2-3-4(5)6;;;/h2-3H2,1H3,(H2,5,6);2*1H;/q;;;+2/p-2.
What are the key properties of butanamide;dichlorozirconium?
butanamide;dichlorozirconium has a molecular weight of 249.25 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butanamide;dichlorozirconium is sourced from PubChem (CID 175565621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).