N-but-1-en-2-ylmethanimine;tungsten(2+);yttrium

C5H7NWY — CID 91866514

IUPACN-but-1-en-2-ylmethanimine;tungsten(2+);yttrium
SMILES[H]/[C-]=N/C(=C)[CH-]C.[W+2].[Y]
InChIInChI=1S/C5H7N.W.Y/c1-4-5(2)6-3;;/h3-4H,2H2,1H3;;/q-2;+2;
InChIKeyJROZRQJGEQJJKK-UHFFFAOYSA-N
MW353.86 g/mol
LogP1.30
Rot. Bonds2

About N-but-1-en-2-ylmethanimine;tungsten(2+);yttrium

N-but-1-en-2-ylmethanimine;tungsten(2+);yttrium (PubChem CID 91866514) has the molecular formula C5H7NWY and a molecular weight of 353.86 g/mol. Its IUPAC name is N-but-1-en-2-ylmethanimine;tungsten(2+);yttrium.

Molecular Properties

Compound NameN-but-1-en-2-ylmethanimine;tungsten(2+);yttrium
PubChem CID91866514
Molecular FormulaC5H7NWY
Molecular Weight353.86 g/mol
Exact Mass353.91
IUPAC NameN-but-1-en-2-ylmethanimine;tungsten(2+);yttrium
SMILES[H]/[C-]=N/C(=C)[CH-]C.[W+2].[Y]
InChIInChI=1S/C5H7N.W.Y/c1-4-5(2)6-3;;/h3-4H,2H2,1H3;;/q-2;+2;
InChIKeyJROZRQJGEQJJKK-UHFFFAOYSA-N
XLogP1.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-prop-1-en-2-ylmethanimine;tungsten(2+)
CID 20770482
N-(3-methylbut-1-en-2-yl)methanimine;yttrium
CID 59037959
N-(3-methylbut-1-en-2-yl)methanimine;tungsten(2+)
CID 59671569
N-but-1-en-2-ylmethanimine;tungsten;yttrium
CID 60089852
N-but-1-en-2-ylmethanimine
CID 60089853
N-prop-1-en-2-ylmethanimine;tungsten(2+);yttrium
CID 60089907

Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-ylmethanimine;tungsten(2+);yttrium?
The IUPAC name of N-but-1-en-2-ylmethanimine;tungsten(2+);yttrium (CID 91866514) is N-but-1-en-2-ylmethanimine;tungsten(2+);yttrium.
What is the SMILES notation for N-but-1-en-2-ylmethanimine;tungsten(2+);yttrium?
The canonical SMILES for N-but-1-en-2-ylmethanimine;tungsten(2+);yttrium is [H]/[C-]=N/C(=C)[CH-]C.[W+2].[Y].
What is the InChIKey of N-but-1-en-2-ylmethanimine;tungsten(2+);yttrium?
The InChIKey is JROZRQJGEQJJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.W.Y/c1-4-5(2)6-3;;/h3-4H,2H2,1H3;;/q-2;+2;.
What are the key properties of N-but-1-en-2-ylmethanimine;tungsten(2+);yttrium?
N-but-1-en-2-ylmethanimine;tungsten(2+);yttrium has a molecular weight of 353.86 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-ylmethanimine;tungsten(2+);yttrium is sourced from PubChem (CID 91866514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).