neodymium;pentane-2,3-dione

C5H8NdO2 — CID 160925961

IUPACneodymium;pentane-2,3-dione
SMILESCCC(=O)C(C)=O.[Nd]
InChIInChI=1S/C5H8O2.Nd/c1-3-5(7)4(2)6;/h3H2,1-2H3;
InChIKeySSQIOAPXYBWOKP-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.55
Rot. Bonds2

About neodymium;pentane-2,3-dione

neodymium;pentane-2,3-dione (PubChem CID 160925961) has the molecular formula C5H8NdO2 and a molecular weight of 244.36 g/mol. Its IUPAC name is neodymium;pentane-2,3-dione.

Molecular Properties

Compound Nameneodymium;pentane-2,3-dione
PubChem CID160925961
Molecular FormulaC5H8NdO2
Molecular Weight244.36 g/mol
Exact Mass241.96
IUPAC Nameneodymium;pentane-2,3-dione
SMILESCCC(=O)C(C)=O.[Nd]
InChIInChI=1S/C5H8O2.Nd/c1-3-5(7)4(2)6;/h3H2,1-2H3;
InChIKeySSQIOAPXYBWOKP-UHFFFAOYSA-N
XLogP0.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of neodymium;pentane-2,3-dione?
The IUPAC name of neodymium;pentane-2,3-dione (CID 160925961) is neodymium;pentane-2,3-dione.
What is the SMILES notation for neodymium;pentane-2,3-dione?
The canonical SMILES for neodymium;pentane-2,3-dione is CCC(=O)C(C)=O.[Nd].
What is the InChIKey of neodymium;pentane-2,3-dione?
The InChIKey is SSQIOAPXYBWOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.Nd/c1-3-5(7)4(2)6;/h3H2,1-2H3;.
What are the key properties of neodymium;pentane-2,3-dione?
neodymium;pentane-2,3-dione has a molecular weight of 244.36 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for neodymium;pentane-2,3-dione is sourced from PubChem (CID 160925961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).