ethane;3-hydroxy-1-methanidylpyridin-2-one;yttrium

C8H11NO2Y-2 — CID 59563395

IUPACethane;3-hydroxy-1-methanidylpyridin-2-one;yttrium
SMILES[CH2-]C.[CH2-]n1cccc(O)c1=O.[Y]
InChIInChI=1S/C6H6NO2.C2H5.Y/c1-7-4-2-3-5(8)6(7)9;1-2;/h2-4,8H,1H2;1H2,2H3;/q2*-1;
InChIKeyTYYMRVRRXQEUNY-UHFFFAOYSA-N
MW242.09 g/mol
LogP1.03
Rot. Bonds

About ethane;3-hydroxy-1-methanidylpyridin-2-one;yttrium

ethane;3-hydroxy-1-methanidylpyridin-2-one;yttrium (PubChem CID 59563395) has the molecular formula C8H11NO2Y-2 and a molecular weight of 242.09 g/mol. Its IUPAC name is ethane;3-hydroxy-1-methanidylpyridin-2-one;yttrium.

Molecular Properties

Compound Nameethane;3-hydroxy-1-methanidylpyridin-2-one;yttrium
PubChem CID59563395
Molecular FormulaC8H11NO2Y-2
Molecular Weight242.09 g/mol
Exact Mass241.99
IUPAC Nameethane;3-hydroxy-1-methanidylpyridin-2-one;yttrium
SMILES[CH2-]C.[CH2-]n1cccc(O)c1=O.[Y]
InChIInChI=1S/C6H6NO2.C2H5.Y/c1-7-4-2-3-5(8)6(7)9;1-2;/h2-4,8H,1H2;1H2,2H3;/q2*-1;
InChIKeyTYYMRVRRXQEUNY-UHFFFAOYSA-N
XLogP1.03
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.09
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;3-hydroxy-1-methanidylpyridin-2-one;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;3-hydroxy-1-methanidylpyridin-2-one;yttrium?
The IUPAC name of ethane;3-hydroxy-1-methanidylpyridin-2-one;yttrium (CID 59563395) is ethane;3-hydroxy-1-methanidylpyridin-2-one;yttrium.
What is the SMILES notation for ethane;3-hydroxy-1-methanidylpyridin-2-one;yttrium?
The canonical SMILES for ethane;3-hydroxy-1-methanidylpyridin-2-one;yttrium is [CH2-]C.[CH2-]n1cccc(O)c1=O.[Y].
What is the InChIKey of ethane;3-hydroxy-1-methanidylpyridin-2-one;yttrium?
The InChIKey is TYYMRVRRXQEUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6NO2.C2H5.Y/c1-7-4-2-3-5(8)6(7)9;1-2;/h2-4,8H,1H2;1H2,2H3;/q2*-1;.
What are the key properties of ethane;3-hydroxy-1-methanidylpyridin-2-one;yttrium?
ethane;3-hydroxy-1-methanidylpyridin-2-one;yttrium has a molecular weight of 242.09 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-hydroxy-1-methanidylpyridin-2-one;yttrium is sourced from PubChem (CID 59563395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).