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

C14H16NOY- — CID 153050707

IUPAC6-(4-ethoxyphenyl)-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium
SMILESC=C1CC[C-]=C(c2ccc(OCC)cc2)N1.[Y]
InChIInChI=1S/C14H16NO.Y/c1-3-16-13-9-7-12(8-10-13)14-6-4-5-11(2)15-14;/h7-10,15H,2-5H2,1H3;/q-1;
InChIKeyYDOPATBPHDYCHK-UHFFFAOYSA-N
MW303.19 g/mol
LogP3.12
Rot. Bonds3

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

6-(4-ethoxyphenyl)-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium (PubChem CID 153050707) has the molecular formula C14H16NOY- and a molecular weight of 303.19 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium
PubChem CID153050707
Molecular FormulaC14H16NOY-
Molecular Weight303.19 g/mol
Exact Mass303.03
IUPAC Name6-(4-ethoxyphenyl)-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium
SMILESC=C1CC[C-]=C(c2ccc(OCC)cc2)N1.[Y]
InChIInChI=1S/C14H16NO.Y/c1-3-16-13-9-7-12(8-10-13)14-6-4-5-11(2)15-14;/h7-10,15H,2-5H2,1H3;/q-1;
InChIKeyYDOPATBPHDYCHK-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 53.12
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-(2,2-difluoroethoxy)phenyl]-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium
CID 161280183
6-(4-ethoxyphenyl)-3-methyl-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium
CID 147813194
3-(4-ethoxyphenyl)cyclopent-2-en-1-one
CID 39240486
3-bromo-6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium
CID 159204350
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
ethane;1-ethoxy-4-fluorobenzene
CID 143106824
1-cyclohexa-1,3-dien-1-yl-4-ethoxybenzene
CID 145107392
2,5-bis(4-ethoxyphenyl)thiophene
CID 154402016
1,2,4,5-tetrakis[2-(4-ethoxyphenyl)phenyl]benzene
CID 59789051
ethoxybenzene chloride
CID 21193593
8-(4-ethoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 81224095

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium?
The IUPAC name of 6-(4-ethoxyphenyl)-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium (CID 153050707) is 6-(4-ethoxyphenyl)-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium.
What is the SMILES notation for 6-(4-ethoxyphenyl)-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium?
The canonical SMILES for 6-(4-ethoxyphenyl)-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium is C=C1CC[C-]=C(c2ccc(OCC)cc2)N1.[Y].
What is the InChIKey of 6-(4-ethoxyphenyl)-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium?
The InChIKey is YDOPATBPHDYCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16NO.Y/c1-3-16-13-9-7-12(8-10-13)14-6-4-5-11(2)15-14;/h7-10,15H,2-5H2,1H3;/q-1;.
What are the key properties of 6-(4-ethoxyphenyl)-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium?
6-(4-ethoxyphenyl)-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium has a molecular weight of 303.19 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium is sourced from PubChem (CID 153050707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).