gadolinium;methane;methyliminoazanide

C2H7GdN2- — CID 158409592

IUPACgadolinium;methane;methyliminoazanide
SMILESC.CN=[N-].[Gd]
InChIInChI=1S/CH3N2.CH4.Gd/c1-3-2;;/h1H3;1H4;/q-1;;
InChIKeyMVNBGFOWKVYLPJ-UHFFFAOYSA-N
MW216.34 g/mol
LogP1.27
Rot. Bonds

About gadolinium;methane;methyliminoazanide

gadolinium;methane;methyliminoazanide (PubChem CID 158409592) has the molecular formula C2H7GdN2- and a molecular weight of 216.34 g/mol. Its IUPAC name is gadolinium;methane;methyliminoazanide.

Molecular Properties

Compound Namegadolinium;methane;methyliminoazanide
PubChem CID158409592
Molecular FormulaC2H7GdN2-
Molecular Weight216.34 g/mol
Exact Mass216.99
IUPAC Namegadolinium;methane;methyliminoazanide
SMILESC.CN=[N-].[Gd]
InChIInChI=1S/CH3N2.CH4.Gd/c1-3-2;;/h1H3;1H4;/q-1;;
InChIKeyMVNBGFOWKVYLPJ-UHFFFAOYSA-N
XLogP1.27
TPSA34.66 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.34
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of gadolinium;methane;methyliminoazanide?
The IUPAC name of gadolinium;methane;methyliminoazanide (CID 158409592) is gadolinium;methane;methyliminoazanide.
What is the SMILES notation for gadolinium;methane;methyliminoazanide?
The canonical SMILES for gadolinium;methane;methyliminoazanide is C.CN=[N-].[Gd].
What is the InChIKey of gadolinium;methane;methyliminoazanide?
The InChIKey is MVNBGFOWKVYLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3N2.CH4.Gd/c1-3-2;;/h1H3;1H4;/q-1;;.
What are the key properties of gadolinium;methane;methyliminoazanide?
gadolinium;methane;methyliminoazanide has a molecular weight of 216.34 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for gadolinium;methane;methyliminoazanide is sourced from PubChem (CID 158409592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).