6-(4-ethoxyphenyl)-3-methyl-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium

C15H18NOY- — CID 147813194

IUPAC6-(4-ethoxyphenyl)-3-methyl-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium
SMILESC=C1NC(c2ccc(OCC)cc2)=[C-]CC1C.[Y]
InChIInChI=1S/C15H18NO.Y/c1-4-17-14-8-6-13(7-9-14)15-10-5-11(2)12(3)16-15;/h6-9,11,16H,3-5H2,1-2H3;/q-1;
InChIKeyQYPUEPUESNVFAD-UHFFFAOYSA-N
MW317.22 g/mol
LogP3.37
Rot. Bonds3

About 6-(4-ethoxyphenyl)-3-methyl-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium

6-(4-ethoxyphenyl)-3-methyl-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium (PubChem CID 147813194) has the molecular formula C15H18NOY- and a molecular weight of 317.22 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-3-methyl-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-3-methyl-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium
PubChem CID147813194
Molecular FormulaC15H18NOY-
Molecular Weight317.22 g/mol
Exact Mass317.05
IUPAC Name6-(4-ethoxyphenyl)-3-methyl-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium
SMILESC=C1NC(c2ccc(OCC)cc2)=[C-]CC1C.[Y]
InChIInChI=1S/C15H18NO.Y/c1-4-17-14-8-6-13(7-9-14)15-10-5-11(2)12(3)16-15;/h6-9,11,16H,3-5H2,1-2H3;/q-1;
InChIKeyQYPUEPUESNVFAD-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 53.37
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

6-(4-ethoxyphenyl)-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium
CID 153050707
3-bromo-6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium
CID 159204350
6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium
CID 161280183
1-ethoxy-4-(6-methylcyclohexa-1,3-dien-1-yl)benzene
CID 163557331
3-(4-ethoxyphenyl)-6-methylcyclohex-2-en-1-one
CID 14914996
3-bromo-6-(4-ethoxyphenyl)-1-ethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153450528
4-(4-ethoxyphenyl)-5-methyl-2H-triazole
CID 170147551
3-(4-ethoxyphenyl)cyclopent-2-en-1-one
CID 39240486
2-[4-(4-ethoxyphenyl)phenyl]acetic acid
CID 1394503
1-(4-ethoxyphenyl)-2-methylcyclopropan-1-ol
CID 79332202
2-(4-ethoxyphenyl)-1,5-dimethyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 153086018
5-chloro-2-(4-ethoxyphenyl)-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 157409502

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-3-methyl-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium?
The IUPAC name of 6-(4-ethoxyphenyl)-3-methyl-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium (CID 147813194) is 6-(4-ethoxyphenyl)-3-methyl-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium.
What is the SMILES notation for 6-(4-ethoxyphenyl)-3-methyl-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium?
The canonical SMILES for 6-(4-ethoxyphenyl)-3-methyl-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium is C=C1NC(c2ccc(OCC)cc2)=[C-]CC1C.[Y].
What is the InChIKey of 6-(4-ethoxyphenyl)-3-methyl-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium?
The InChIKey is QYPUEPUESNVFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18NO.Y/c1-4-17-14-8-6-13(7-9-14)15-10-5-11(2)12(3)16-15;/h6-9,11,16H,3-5H2,1-2H3;/q-1;.
What are the key properties of 6-(4-ethoxyphenyl)-3-methyl-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium?
6-(4-ethoxyphenyl)-3-methyl-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium has a molecular weight of 317.22 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-3-methyl-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium is sourced from PubChem (CID 147813194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).