4-ethylidene-2,5-dimethylpyrazol-3-one;yttrium

C7H9N2OY- — CID 59878742

IUPAC4-ethylidene-2,5-dimethylpyrazol-3-one;yttrium
SMILESC/[C-]=C1\C(=O)N(C)N=C1C.[Y]
InChIInChI=1S/C7H9N2O.Y/c1-4-6-5(2)8-9(3)7(6)10;/h1-3H3;/q-1;
InChIKeyHQCKNHDXFKSNAV-UHFFFAOYSA-N
MW226.07 g/mol
LogP0.58
Rot. Bonds

About 4-ethylidene-2,5-dimethylpyrazol-3-one;yttrium

4-ethylidene-2,5-dimethylpyrazol-3-one;yttrium (PubChem CID 59878742) has the molecular formula C7H9N2OY- and a molecular weight of 226.07 g/mol. Its IUPAC name is 4-ethylidene-2,5-dimethylpyrazol-3-one;yttrium.

Molecular Properties

Compound Name4-ethylidene-2,5-dimethylpyrazol-3-one;yttrium
PubChem CID59878742
Molecular FormulaC7H9N2OY-
Molecular Weight226.07 g/mol
Exact Mass225.98
IUPAC Name4-ethylidene-2,5-dimethylpyrazol-3-one;yttrium
SMILESC/[C-]=C1\C(=O)N(C)N=C1C.[Y]
InChIInChI=1S/C7H9N2O.Y/c1-4-6-5(2)8-9(3)7(6)10;/h1-3H3;/q-1;
InChIKeyHQCKNHDXFKSNAV-UHFFFAOYSA-N
XLogP0.58
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'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 4-ethylidene-2,5-dimethylpyrazol-3-one;yttrium?
The IUPAC name of 4-ethylidene-2,5-dimethylpyrazol-3-one;yttrium (CID 59878742) is 4-ethylidene-2,5-dimethylpyrazol-3-one;yttrium.
What is the SMILES notation for 4-ethylidene-2,5-dimethylpyrazol-3-one;yttrium?
The canonical SMILES for 4-ethylidene-2,5-dimethylpyrazol-3-one;yttrium is C/[C-]=C1\C(=O)N(C)N=C1C.[Y].
What is the InChIKey of 4-ethylidene-2,5-dimethylpyrazol-3-one;yttrium?
The InChIKey is HQCKNHDXFKSNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N2O.Y/c1-4-6-5(2)8-9(3)7(6)10;/h1-3H3;/q-1;.
What are the key properties of 4-ethylidene-2,5-dimethylpyrazol-3-one;yttrium?
4-ethylidene-2,5-dimethylpyrazol-3-one;yttrium has a molecular weight of 226.07 g/mol, XLogP of 0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-2,5-dimethylpyrazol-3-one;yttrium is sourced from PubChem (CID 59878742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).