1-ethyl-6-[4-(methylsulfanylmethoxy)phenyl]-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium

C15H18NO2SY- — CID 153451669

IUPAC1-ethyl-6-[4-(methylsulfanylmethoxy)phenyl]-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
SMILESCCN1C(=O)CC[C-]=C1c1ccc(OCSC)cc1.[Y]
InChIInChI=1S/C15H18NO2S.Y/c1-3-16-14(5-4-6-15(16)17)12-7-9-13(10-8-12)18-11-19-2;/h7-10H,3-4,6,11H2,1-2H3;/q-1;
InChIKeyYNKBBXZDXFCKPY-UHFFFAOYSA-N
MW365.29 g/mol
LogP3.17
Rot. Bonds5

About 1-ethyl-6-[4-(methylsulfanylmethoxy)phenyl]-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium

1-ethyl-6-[4-(methylsulfanylmethoxy)phenyl]-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium (PubChem CID 153451669) has the molecular formula C15H18NO2SY- and a molecular weight of 365.29 g/mol. Its IUPAC name is 1-ethyl-6-[4-(methylsulfanylmethoxy)phenyl]-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium.

Molecular Properties

Compound Name1-ethyl-6-[4-(methylsulfanylmethoxy)phenyl]-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
PubChem CID153451669
Molecular FormulaC15H18NO2SY-
Molecular Weight365.29 g/mol
Exact Mass365.01
IUPAC Name1-ethyl-6-[4-(methylsulfanylmethoxy)phenyl]-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
SMILESCCN1C(=O)CC[C-]=C1c1ccc(OCSC)cc1.[Y]
InChIInChI=1S/C15H18NO2S.Y/c1-3-16-14(5-4-6-15(16)17)12-7-9-13(10-8-12)18-11-19-2;/h7-10H,3-4,6,11H2,1-2H3;/q-1;
InChIKeyYNKBBXZDXFCKPY-UHFFFAOYSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-difluoroethyl)-6-[4-(methylsulfanylmethoxy)phenyl]-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153452049
1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)phenyl]-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451935
3-bromo-6-(4-ethoxyphenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153450528
1-ethyl-3-methyl-6-[4-(methylsulfanylmethoxy)phenyl]-3,4-dihydropyridin-2-one
CID 153450541
2-[4-(1-ethyl-6-oxo-4,5-dihydro-3H-pyridin-3-id-2-yl)-3,5-difluorophenoxy]acetonitrile;yttrium
CID 153451370
6-(4-but-2-ynoxy-2,6-difluorophenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153452001
1-ethyl-3-iodo-6-(4-methoxyphenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451967
1-(2,2-difluoroethyl)-6-(4-ethoxy-2-fluorophenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451775
1,5-dimethyl-2-[4-(methylsulfanylmethoxy)phenyl]-3H-pyridin-3-id-6-one;yttrium
CID 159764361
3-chloro-6-[2-chloro-4-(methylsulfanylmethoxy)phenyl]-1-ethyl-3,4-dihydropyridin-2-one
CID 153451938
2-[4-(2,2-difluoroethoxy)phenyl]-1-ethyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 159935289
6-[2-bromo-4-(2-methoxyethoxy)phenyl]-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153450326

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-[4-(methylsulfanylmethoxy)phenyl]-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The IUPAC name of 1-ethyl-6-[4-(methylsulfanylmethoxy)phenyl]-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium (CID 153451669) is 1-ethyl-6-[4-(methylsulfanylmethoxy)phenyl]-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium.
What is the SMILES notation for 1-ethyl-6-[4-(methylsulfanylmethoxy)phenyl]-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The canonical SMILES for 1-ethyl-6-[4-(methylsulfanylmethoxy)phenyl]-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium is CCN1C(=O)CC[C-]=C1c1ccc(OCSC)cc1.[Y].
What is the InChIKey of 1-ethyl-6-[4-(methylsulfanylmethoxy)phenyl]-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
The InChIKey is YNKBBXZDXFCKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18NO2S.Y/c1-3-16-14(5-4-6-15(16)17)12-7-9-13(10-8-12)18-11-19-2;/h7-10H,3-4,6,11H2,1-2H3;/q-1;.
What are the key properties of 1-ethyl-6-[4-(methylsulfanylmethoxy)phenyl]-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium?
1-ethyl-6-[4-(methylsulfanylmethoxy)phenyl]-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium has a molecular weight of 365.29 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-[4-(methylsulfanylmethoxy)phenyl]-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium is sourced from PubChem (CID 153451669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).