5-but-3-enyl-3-methyl-1,4-dihydropyrimidin-2-one;yttrium

C9H13N2OY- — CID 59979655

IUPAC5-but-3-enyl-3-methyl-1,4-dihydropyrimidin-2-one;yttrium
SMILES[H]/[C-]=C\CCC1=CNC(=O)N(C)C1.[Y]
InChIInChI=1S/C9H13N2O.Y/c1-3-4-5-8-6-10-9(12)11(2)7-8;/h1,3,6H,4-5,7H2,2H3,(H,10,12);/q-1;
InChIKeyGLKYOJDJFFMOGK-UHFFFAOYSA-N
MW254.12 g/mol
LogP1.29
Rot. Bonds3

About 5-but-3-enyl-3-methyl-1,4-dihydropyrimidin-2-one;yttrium

5-but-3-enyl-3-methyl-1,4-dihydropyrimidin-2-one;yttrium (PubChem CID 59979655) has the molecular formula C9H13N2OY- and a molecular weight of 254.12 g/mol. Its IUPAC name is 5-but-3-enyl-3-methyl-1,4-dihydropyrimidin-2-one;yttrium.

Molecular Properties

Compound Name5-but-3-enyl-3-methyl-1,4-dihydropyrimidin-2-one;yttrium
PubChem CID59979655
Molecular FormulaC9H13N2OY-
Molecular Weight254.12 g/mol
Exact Mass254.01
IUPAC Name5-but-3-enyl-3-methyl-1,4-dihydropyrimidin-2-one;yttrium
SMILES[H]/[C-]=C\CCC1=CNC(=O)N(C)C1.[Y]
InChIInChI=1S/C9H13N2O.Y/c1-3-4-5-8-6-10-9(12)11(2)7-8;/h1,3,6H,4-5,7H2,2H3,(H,10,12);/q-1;
InChIKeyGLKYOJDJFFMOGK-UHFFFAOYSA-N
XLogP1.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 5-but-3-enyl-3-methyl-1,4-dihydropyrimidin-2-one;yttrium?
The IUPAC name of 5-but-3-enyl-3-methyl-1,4-dihydropyrimidin-2-one;yttrium (CID 59979655) is 5-but-3-enyl-3-methyl-1,4-dihydropyrimidin-2-one;yttrium.
What is the SMILES notation for 5-but-3-enyl-3-methyl-1,4-dihydropyrimidin-2-one;yttrium?
The canonical SMILES for 5-but-3-enyl-3-methyl-1,4-dihydropyrimidin-2-one;yttrium is [H]/[C-]=C\CCC1=CNC(=O)N(C)C1.[Y].
What is the InChIKey of 5-but-3-enyl-3-methyl-1,4-dihydropyrimidin-2-one;yttrium?
The InChIKey is GLKYOJDJFFMOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N2O.Y/c1-3-4-5-8-6-10-9(12)11(2)7-8;/h1,3,6H,4-5,7H2,2H3,(H,10,12);/q-1;.
What are the key properties of 5-but-3-enyl-3-methyl-1,4-dihydropyrimidin-2-one;yttrium?
5-but-3-enyl-3-methyl-1,4-dihydropyrimidin-2-one;yttrium has a molecular weight of 254.12 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-enyl-3-methyl-1,4-dihydropyrimidin-2-one;yttrium is sourced from PubChem (CID 59979655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).