tris(N-acetylacetamide);gallane

C12H24GaN3O6 — CID 175572719

IUPACtris(N-acetylacetamide);gallane
SMILESCC(=O)NC(C)=O.CC(=O)NC(C)=O.CC(=O)NC(C)=O.[GaH3]
InChIInChI=1S/3C4H7NO2.Ga.3H/c3*1-3(6)5-4(2)7;;;;/h3*1-2H3,(H,5,6,7);;;;
InChIKeyPSFTZLYNQIQIHR-UHFFFAOYSA-N
MW376.06 g/mol
LogP-2.18
Rot. Bonds

About tris(N-acetylacetamide);gallane

tris(N-acetylacetamide);gallane (PubChem CID 175572719) has the molecular formula C12H24GaN3O6 and a molecular weight of 376.06 g/mol. Its IUPAC name is tris(N-acetylacetamide);gallane.

Molecular Properties

Compound Nametris(N-acetylacetamide);gallane
PubChem CID175572719
Molecular FormulaC12H24GaN3O6
Molecular Weight376.06 g/mol
Exact Mass375.09
IUPAC Nametris(N-acetylacetamide);gallane
SMILESCC(=O)NC(C)=O.CC(=O)NC(C)=O.CC(=O)NC(C)=O.[GaH3]
InChIInChI=1S/3C4H7NO2.Ga.3H/c3*1-3(6)5-4(2)7;;;;/h3*1-2H3,(H,5,6,7);;;;
InChIKeyPSFTZLYNQIQIHR-UHFFFAOYSA-N
XLogP-2.18
TPSA138.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.06
LogP ≤ 5-2.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tris(N-acetylacetamide);gallane?
The IUPAC name of tris(N-acetylacetamide);gallane (CID 175572719) is tris(N-acetylacetamide);gallane.
What is the SMILES notation for tris(N-acetylacetamide);gallane?
The canonical SMILES for tris(N-acetylacetamide);gallane is CC(=O)NC(C)=O.CC(=O)NC(C)=O.CC(=O)NC(C)=O.[GaH3].
What is the InChIKey of tris(N-acetylacetamide);gallane?
The InChIKey is PSFTZLYNQIQIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H7NO2.Ga.3H/c3*1-3(6)5-4(2)7;;;;/h3*1-2H3,(H,5,6,7);;;;.
What are the key properties of tris(N-acetylacetamide);gallane?
tris(N-acetylacetamide);gallane has a molecular weight of 376.06 g/mol, XLogP of -2.18, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(N-acetylacetamide);gallane is sourced from PubChem (CID 175572719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).