methylazanide;pentane-2,4-dione;yttrium

C7H16N2O2Y-2 — CID 158650555

IUPACmethylazanide;pentane-2,4-dione;yttrium
SMILESCC(=O)CC(C)=O.C[NH-].C[NH-].[Y]
InChIInChI=1S/C5H8O2.2CH4N.Y/c1-4(6)3-5(2)7;2*1-2;/h3H2,1-2H3;2*2H,1H3;/q;2*-1;
InChIKeyUODKHXRAFDGPCN-UHFFFAOYSA-N
MW249.12 g/mol
LogP1.89
Rot. Bonds2

About methylazanide;pentane-2,4-dione;yttrium

methylazanide;pentane-2,4-dione;yttrium (PubChem CID 158650555) has the molecular formula C7H16N2O2Y-2 and a molecular weight of 249.12 g/mol. Its IUPAC name is methylazanide;pentane-2,4-dione;yttrium.

Molecular Properties

Compound Namemethylazanide;pentane-2,4-dione;yttrium
PubChem CID158650555
Molecular FormulaC7H16N2O2Y-2
Molecular Weight249.12 g/mol
Exact Mass249.03
IUPAC Namemethylazanide;pentane-2,4-dione;yttrium
SMILESCC(=O)CC(C)=O.C[NH-].C[NH-].[Y]
InChIInChI=1S/C5H8O2.2CH4N.Y/c1-4(6)3-5(2)7;2*1-2;/h3H2,1-2H3;2*2H,1H3;/q;2*-1;
InChIKeyUODKHXRAFDGPCN-UHFFFAOYSA-N
XLogP1.89
TPSA81.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.12
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

potassium pentane-2,4-dione
CID 19762724
Lithium pentane-2,4-dione
CID 86735745
barium(2+);pentane-2,4-dione
CID 23298949
CID 159548628
CID 159548628
CID 87073525
CID 87073525
ethane;tris(pentane-2,4-dione)
CID 158826280
molybdenum(4+);tetrakis(pentane-2,4-dione)
CID 11705952
CID 15855332
CID 15855332
silver pentane-2,4-dione
CID 21252539
nickel;pentane-2,4-dione
CID 158705791
CID 87579488
CID 87579488
lanthanum;pentane-2,4-dione;dihydrate
CID 158849371

Frequently Asked Questions

What is the IUPAC name of methylazanide;pentane-2,4-dione;yttrium?
The IUPAC name of methylazanide;pentane-2,4-dione;yttrium (CID 158650555) is methylazanide;pentane-2,4-dione;yttrium.
What is the SMILES notation for methylazanide;pentane-2,4-dione;yttrium?
The canonical SMILES for methylazanide;pentane-2,4-dione;yttrium is CC(=O)CC(C)=O.C[NH-].C[NH-].[Y].
What is the InChIKey of methylazanide;pentane-2,4-dione;yttrium?
The InChIKey is UODKHXRAFDGPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.2CH4N.Y/c1-4(6)3-5(2)7;2*1-2;/h3H2,1-2H3;2*2H,1H3;/q;2*-1;.
What are the key properties of methylazanide;pentane-2,4-dione;yttrium?
methylazanide;pentane-2,4-dione;yttrium has a molecular weight of 249.12 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylazanide;pentane-2,4-dione;yttrium is sourced from PubChem (CID 158650555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).