2-methanidyl-3-methylpyran-4-one;yttrium

C7H7O2Y- — CID 58083649

IUPAC2-methanidyl-3-methylpyran-4-one;yttrium
SMILES[CH2-]c1occc(=O)c1C.[Y]
InChIInChI=1S/C7H7O2.Y/c1-5-6(2)9-4-3-7(5)8;/h3-4H,2H2,1H3;/q-1;
InChIKeyMDVMMKVSBZLNJG-UHFFFAOYSA-N
MW212.04 g/mol
LogP1.13
Rot. Bonds

About 2-methanidyl-3-methylpyran-4-one;yttrium

2-methanidyl-3-methylpyran-4-one;yttrium (PubChem CID 58083649) has the molecular formula C7H7O2Y- and a molecular weight of 212.04 g/mol. Its IUPAC name is 2-methanidyl-3-methylpyran-4-one;yttrium.

Molecular Properties

Compound Name2-methanidyl-3-methylpyran-4-one;yttrium
PubChem CID58083649
Molecular FormulaC7H7O2Y-
Molecular Weight212.04 g/mol
Exact Mass211.95
IUPAC Name2-methanidyl-3-methylpyran-4-one;yttrium
SMILES[CH2-]c1occc(=O)c1C.[Y]
InChIInChI=1S/C7H7O2.Y/c1-5-6(2)9-4-3-7(5)8;/h3-4H,2H2,1H3;/q-1;
InChIKeyMDVMMKVSBZLNJG-UHFFFAOYSA-N
XLogP1.13
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.04
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methanidyl-3-methylpyran-4-one;yttrium?
The IUPAC name of 2-methanidyl-3-methylpyran-4-one;yttrium (CID 58083649) is 2-methanidyl-3-methylpyran-4-one;yttrium.
What is the SMILES notation for 2-methanidyl-3-methylpyran-4-one;yttrium?
The canonical SMILES for 2-methanidyl-3-methylpyran-4-one;yttrium is [CH2-]c1occc(=O)c1C.[Y].
What is the InChIKey of 2-methanidyl-3-methylpyran-4-one;yttrium?
The InChIKey is MDVMMKVSBZLNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O2.Y/c1-5-6(2)9-4-3-7(5)8;/h3-4H,2H2,1H3;/q-1;.
What are the key properties of 2-methanidyl-3-methylpyran-4-one;yttrium?
2-methanidyl-3-methylpyran-4-one;yttrium has a molecular weight of 212.04 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanidyl-3-methylpyran-4-one;yttrium is sourced from PubChem (CID 58083649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).