3-methanidyl-2-methyl-3-phosphanylbutanenitrile;yttrium

C6H11NPY- — CID 59648978

IUPAC3-methanidyl-2-methyl-3-phosphanylbutanenitrile;yttrium
SMILES[CH2-]C(C)(P)C(C)C#N.[Y]
InChIInChI=1S/C6H11NP.Y/c1-5(4-7)6(2,3)8;/h5H,2,8H2,1,3H3;/q-1;
InChIKeyJLSJIKJKAWTJBR-UHFFFAOYSA-N
MW217.04 g/mol
LogP1.61
Rot. Bonds1

About 3-methanidyl-2-methyl-3-phosphanylbutanenitrile;yttrium

3-methanidyl-2-methyl-3-phosphanylbutanenitrile;yttrium (PubChem CID 59648978) has the molecular formula C6H11NPY- and a molecular weight of 217.04 g/mol. Its IUPAC name is 3-methanidyl-2-methyl-3-phosphanylbutanenitrile;yttrium.

Molecular Properties

Compound Name3-methanidyl-2-methyl-3-phosphanylbutanenitrile;yttrium
PubChem CID59648978
Molecular FormulaC6H11NPY-
Molecular Weight217.04 g/mol
Exact Mass216.97
IUPAC Name3-methanidyl-2-methyl-3-phosphanylbutanenitrile;yttrium
SMILES[CH2-]C(C)(P)C(C)C#N.[Y]
InChIInChI=1S/C6H11NP.Y/c1-5(4-7)6(2,3)8;/h5H,2,8H2,1,3H3;/q-1;
InChIKeyJLSJIKJKAWTJBR-UHFFFAOYSA-N
XLogP1.61
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.04
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methanidyl-2-methyl-3-phosphanylbutanenitrile;yttrium?
The IUPAC name of 3-methanidyl-2-methyl-3-phosphanylbutanenitrile;yttrium (CID 59648978) is 3-methanidyl-2-methyl-3-phosphanylbutanenitrile;yttrium.
What is the SMILES notation for 3-methanidyl-2-methyl-3-phosphanylbutanenitrile;yttrium?
The canonical SMILES for 3-methanidyl-2-methyl-3-phosphanylbutanenitrile;yttrium is [CH2-]C(C)(P)C(C)C#N.[Y].
What is the InChIKey of 3-methanidyl-2-methyl-3-phosphanylbutanenitrile;yttrium?
The InChIKey is JLSJIKJKAWTJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NP.Y/c1-5(4-7)6(2,3)8;/h5H,2,8H2,1,3H3;/q-1;.
What are the key properties of 3-methanidyl-2-methyl-3-phosphanylbutanenitrile;yttrium?
3-methanidyl-2-methyl-3-phosphanylbutanenitrile;yttrium has a molecular weight of 217.04 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methanidyl-2-methyl-3-phosphanylbutanenitrile;yttrium is sourced from PubChem (CID 59648978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).