1-ethyl-6-(4-hydroxy-2-methylphenyl)-3-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium

C15H18NO2Y- — CID 153450608

IUPAC1-ethyl-6-(4-hydroxy-2-methylphenyl)-3-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
SMILESCCN1C(=O)C(C)C[C-]=C1c1ccc(O)cc1C.[Y]
InChIInChI=1S/C15H18NO2.Y/c1-4-16-14(8-5-10(2)15(16)18)13-7-6-12(17)9-11(13)3;/h6-7,9-10,17H,4-5H2,1-3H3;/q-1;
InChIKeySXBIFKQALJZFQV-UHFFFAOYSA-N
MW333.22 g/mol
LogP2.73
Rot. Bonds2

About 1-ethyl-6-(4-hydroxy-2-methylphenyl)-3-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium

1-ethyl-6-(4-hydroxy-2-methylphenyl)-3-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium (PubChem CID 153450608) has the molecular formula C15H18NO2Y- and a molecular weight of 333.22 g/mol. Its IUPAC name is 1-ethyl-6-(4-hydroxy-2-methylphenyl)-3-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium.

Molecular Properties

Compound Name1-ethyl-6-(4-hydroxy-2-methylphenyl)-3-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
PubChem CID153450608
Molecular FormulaC15H18NO2Y-
Molecular Weight333.22 g/mol
Exact Mass333.04
IUPAC Name1-ethyl-6-(4-hydroxy-2-methylphenyl)-3-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
SMILESCCN1C(=O)C(C)C[C-]=C1c1ccc(O)cc1C.[Y]
InChIInChI=1S/C15H18NO2.Y/c1-4-16-14(8-5-10(2)15(16)18)13-7-6-12(17)9-11(13)3;/h6-7,9-10,17H,4-5H2,1-3H3;/q-1;
InChIKeySXBIFKQALJZFQV-UHFFFAOYSA-N
XLogP2.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-6-(4-hydroxy-2-methylphenyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451807
6-[2-chloro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451453
6-(2-chloro-4-prop-2-ynoxyphenyl)-1-ethyl-3-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153450648
3-bromo-6-(2,4-dibromophenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153450438
6-(2-bromo-4-chlorophenyl)-3-chloro-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451459
1-(2,2-difluoroethyl)-6-(2-fluoro-4-hydroxyphenyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451260
3-bromo-1-ethyl-6-(2-ethylphenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153450542
3-bromo-6-(2-chloro-4-ethoxyphenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153450736
6-(2-bromo-4-prop-2-ynoxyphenyl)-1-(2,2-difluoroethyl)-3-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153452019
5-bromo-1-ethyl-2-(4-hydroxy-2-methylphenyl)-3H-pyridin-3-id-6-one;yttrium
CID 157387497
3-chloro-1-(2,2-difluoroethyl)-6-(4-methoxy-2-methylphenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153450860
2-[3-chloro-4-[1-(2,2-difluoroethyl)-5-methyl-6-oxo-4,5-dihydro-3H-pyridin-3-id-2-yl]phenoxy]acetonitrile;yttrium
CID 153451739

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-(4-hydroxy-2-methylphenyl)-3-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The IUPAC name of 1-ethyl-6-(4-hydroxy-2-methylphenyl)-3-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium (CID 153450608) is 1-ethyl-6-(4-hydroxy-2-methylphenyl)-3-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium.
What is the SMILES notation for 1-ethyl-6-(4-hydroxy-2-methylphenyl)-3-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The canonical SMILES for 1-ethyl-6-(4-hydroxy-2-methylphenyl)-3-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium is CCN1C(=O)C(C)C[C-]=C1c1ccc(O)cc1C.[Y].
What is the InChIKey of 1-ethyl-6-(4-hydroxy-2-methylphenyl)-3-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The InChIKey is SXBIFKQALJZFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18NO2.Y/c1-4-16-14(8-5-10(2)15(16)18)13-7-6-12(17)9-11(13)3;/h6-7,9-10,17H,4-5H2,1-3H3;/q-1;.
What are the key properties of 1-ethyl-6-(4-hydroxy-2-methylphenyl)-3-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
1-ethyl-6-(4-hydroxy-2-methylphenyl)-3-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium has a molecular weight of 333.22 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-(4-hydroxy-2-methylphenyl)-3-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium is sourced from PubChem (CID 153450608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).