(E)-1-phenylbut-2-en-1-one;yttrium

C10H9OY- — CID 59546400

IUPAC(E)-1-phenylbut-2-en-1-one;yttrium
SMILESC/C=C/C(=O)c1c[c-]ccc1.[Y]
InChIInChI=1S/C10H9O.Y/c1-2-6-10(11)9-7-4-3-5-8-9;/h2-4,6-8H,1H3;/q-1;/b6-2+;
InChIKeyWKVNHPJILGDXOR-LKZNWTOYSA-N
MW234.09 g/mol
LogP2.24
Rot. Bonds2

About (E)-1-phenylbut-2-en-1-one;yttrium

(E)-1-phenylbut-2-en-1-one;yttrium (PubChem CID 59546400) has the molecular formula C10H9OY- and a molecular weight of 234.09 g/mol. Its IUPAC name is (E)-1-phenylbut-2-en-1-one;yttrium.

Molecular Properties

Compound Name(E)-1-phenylbut-2-en-1-one;yttrium
PubChem CID59546400
Molecular FormulaC10H9OY-
Molecular Weight234.09 g/mol
Exact Mass233.97
IUPAC Name(E)-1-phenylbut-2-en-1-one;yttrium
SMILESC/C=C/C(=O)c1c[c-]ccc1.[Y]
InChIInChI=1S/C10H9O.Y/c1-2-6-10(11)9-7-4-3-5-8-9;/h2-4,6-8H,1H3;/q-1;/b6-2+;
InChIKeyWKVNHPJILGDXOR-LKZNWTOYSA-N
XLogP2.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.09
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-phenylbut-2-en-1-one;yttrium?
The IUPAC name of (E)-1-phenylbut-2-en-1-one;yttrium (CID 59546400) is (E)-1-phenylbut-2-en-1-one;yttrium.
What is the SMILES notation for (E)-1-phenylbut-2-en-1-one;yttrium?
The canonical SMILES for (E)-1-phenylbut-2-en-1-one;yttrium is C/C=C/C(=O)c1c[c-]ccc1.[Y].
What is the InChIKey of (E)-1-phenylbut-2-en-1-one;yttrium?
The InChIKey is WKVNHPJILGDXOR-LKZNWTOYSA-N. The full InChI is InChI=1S/C10H9O.Y/c1-2-6-10(11)9-7-4-3-5-8-9;/h2-4,6-8H,1H3;/q-1;/b6-2+;.
What are the key properties of (E)-1-phenylbut-2-en-1-one;yttrium?
(E)-1-phenylbut-2-en-1-one;yttrium has a molecular weight of 234.09 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenylbut-2-en-1-one;yttrium is sourced from PubChem (CID 59546400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).