3-bromo-1-ethyl-6-(2-ethylphenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium

C15H17BrNOY- — CID 153450542

IUPAC3-bromo-1-ethyl-6-(2-ethylphenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
SMILESCCc1ccccc1C1=[C-]CC(Br)C(=O)N1CC.[Y]
InChIInChI=1S/C15H17BrNO.Y/c1-3-11-7-5-6-8-12(11)14-10-9-13(16)15(18)17(14)4-2;/h5-8,13H,3-4,9H2,1-2H3;/q-1;
InChIKeyZOYQFFRTHFDDNA-UHFFFAOYSA-N
MW396.12 g/mol
LogP3.41
Rot. Bonds3

About 3-bromo-1-ethyl-6-(2-ethylphenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium

3-bromo-1-ethyl-6-(2-ethylphenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium (PubChem CID 153450542) has the molecular formula C15H17BrNOY- and a molecular weight of 396.12 g/mol. Its IUPAC name is 3-bromo-1-ethyl-6-(2-ethylphenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium.

Molecular Properties

Compound Name3-bromo-1-ethyl-6-(2-ethylphenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
PubChem CID153450542
Molecular FormulaC15H17BrNOY-
Molecular Weight396.12 g/mol
Exact Mass394.96
IUPAC Name3-bromo-1-ethyl-6-(2-ethylphenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
SMILESCCc1ccccc1C1=[C-]CC(Br)C(=O)N1CC.[Y]
InChIInChI=1S/C15H17BrNO.Y/c1-3-11-7-5-6-8-12(11)14-10-9-13(16)15(18)17(14)4-2;/h5-8,13H,3-4,9H2,1-2H3;/q-1;
InChIKeyZOYQFFRTHFDDNA-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.12
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-bromo-1-ethyl-6-(2-ethylphenyl)-4,5-dihydro-3H-pyridin-5-id-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

Related Compounds

3-bromo-6-(2,4-dibromophenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153450438
3-bromo-1-ethyl-6-(2-ethylphenyl)-3,4-dihydropyridin-2-one
CID 153450543
3-bromo-6-(2-chloro-4-ethoxyphenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153450736
3-bromo-6-(4-ethoxyphenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153450528
1-ethyl-6-(4-hydroxy-2-methylphenyl)-3-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153450608
1-ethyl-6-(4-hydroxy-2-methylphenyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451807
3-bromo-1-(2,2-difluoroethyl)-6-[2-methyl-4-(methylsulfanylmethoxy)phenyl]-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451132
6-(2-bromo-4-prop-2-ynoxyphenyl)-3-chloro-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451252
1-ethyl-3-iodo-6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451967
6-(2-chloro-4-prop-2-ynoxyphenyl)-1-ethyl-3-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153450648
6-[2-chloro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451453
3-bromo-6-[2-bromo-4-(methoxymethoxy)phenyl]-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451288

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-ethyl-6-(2-ethylphenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The IUPAC name of 3-bromo-1-ethyl-6-(2-ethylphenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium (CID 153450542) is 3-bromo-1-ethyl-6-(2-ethylphenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium.
What is the SMILES notation for 3-bromo-1-ethyl-6-(2-ethylphenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The canonical SMILES for 3-bromo-1-ethyl-6-(2-ethylphenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium is CCc1ccccc1C1=[C-]CC(Br)C(=O)N1CC.[Y].
What is the InChIKey of 3-bromo-1-ethyl-6-(2-ethylphenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The InChIKey is ZOYQFFRTHFDDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrNO.Y/c1-3-11-7-5-6-8-12(11)14-10-9-13(16)15(18)17(14)4-2;/h5-8,13H,3-4,9H2,1-2H3;/q-1;.
What are the key properties of 3-bromo-1-ethyl-6-(2-ethylphenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
3-bromo-1-ethyl-6-(2-ethylphenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium has a molecular weight of 396.12 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-ethyl-6-(2-ethylphenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium is sourced from PubChem (CID 153450542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).