2-[(2E,4E,6E)-3-methoxynona-2,4,6-trien-5-yl]-5-methyl-4H-pyridin-4-ide;yttrium

C16H20NOY- — CID 177235280

IUPAC2-[(2E,4E,6E)-3-methoxynona-2,4,6-trien-5-yl]-5-methyl-4H-pyridin-4-ide;yttrium
SMILESC/C=C(\C=C(/C=C/CC)c1c[c-]c(C)cn1)OC.[Y]
InChIInChI=1S/C16H20NO.Y/c1-5-7-8-14(11-15(6-2)18-4)16-10-9-13(3)12-17-16;/h6-8,10-12H,5H2,1-4H3;/q-1;/b8-7+,14-11+,15-6+;
InChIKeyNIZWQGPWRVWJEO-YCSACDCZSA-N
MW331.25 g/mol
LogP4.09
Rot. Bonds5

About 2-[(2E,4E,6E)-3-methoxynona-2,4,6-trien-5-yl]-5-methyl-4H-pyridin-4-ide;yttrium

2-[(2E,4E,6E)-3-methoxynona-2,4,6-trien-5-yl]-5-methyl-4H-pyridin-4-ide;yttrium (PubChem CID 177235280) has the molecular formula C16H20NOY- and a molecular weight of 331.25 g/mol. Its IUPAC name is 2-[(2E,4E,6E)-3-methoxynona-2,4,6-trien-5-yl]-5-methyl-4H-pyridin-4-ide;yttrium.

Molecular Properties

Compound Name2-[(2E,4E,6E)-3-methoxynona-2,4,6-trien-5-yl]-5-methyl-4H-pyridin-4-ide;yttrium
PubChem CID177235280
Molecular FormulaC16H20NOY-
Molecular Weight331.25 g/mol
Exact Mass331.06
IUPAC Name2-[(2E,4E,6E)-3-methoxynona-2,4,6-trien-5-yl]-5-methyl-4H-pyridin-4-ide;yttrium
SMILESC/C=C(\C=C(/C=C/CC)c1c[c-]c(C)cn1)OC.[Y]
InChIInChI=1S/C16H20NO.Y/c1-5-7-8-14(11-15(6-2)18-4)16-10-9-13(3)12-17-16;/h6-8,10-12H,5H2,1-4H3;/q-1;/b8-7+,14-11+,15-6+;
InChIKeyNIZWQGPWRVWJEO-YCSACDCZSA-N
XLogP4.09
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-[(2E,4E,6E)-3-methoxynona-2,4,6-trien-5-yl]-5-methylpyridine
CID 177235281
2-chloro-3-[(2E,4Z)-hepta-2,4-dien-3-yl]pyridine
CID 144648595
5-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methyl-1,3-thiazole
CID 142606802
2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-(4-methylphenyl)-6-phenyl-1,3,5-triazine
CID 144632071
1-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylbenzene
CID 143750255
(E)-but-2-en-2-ol;2,4-dimethoxy-5-methylpyrimidine;(3Z)-2-methylhexa-1,3-diene;1,3-xylene
CID 143274960
1-[3-(3,5-diphenylphenyl)-5-(4-methylphenyl)phenyl]-3-hepta-2,4-dien-3-yl-5-phenylbenzene
CID 123950143
5-[(2E,4Z)-hepta-2,4-dien-3-yl]pyridine-3,4-diamine
CID 154654247
(3Z,4Z,6E,7E,8E)-3-butan-2-ylidene-7-[(6-chloro-4-methyl-3-pyridinyl)methylidene]-6-ethylidene-5-methylundeca-4,8-dien-2-one
CID 171555927
5-methyl-2-[(E)-pent-2-enoxy]pyridine
CID 122425875
methyl N-[(E)-pent-2-enoyl]carbamate
CID 11615207
4-[(3Z,5E)-nona-3,5-dien-5-yl]pyridine
CID 97114966

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4E,6E)-3-methoxynona-2,4,6-trien-5-yl]-5-methyl-4H-pyridin-4-ide;yttrium?
The IUPAC name of 2-[(2E,4E,6E)-3-methoxynona-2,4,6-trien-5-yl]-5-methyl-4H-pyridin-4-ide;yttrium (CID 177235280) is 2-[(2E,4E,6E)-3-methoxynona-2,4,6-trien-5-yl]-5-methyl-4H-pyridin-4-ide;yttrium.
What is the SMILES notation for 2-[(2E,4E,6E)-3-methoxynona-2,4,6-trien-5-yl]-5-methyl-4H-pyridin-4-ide;yttrium?
The canonical SMILES for 2-[(2E,4E,6E)-3-methoxynona-2,4,6-trien-5-yl]-5-methyl-4H-pyridin-4-ide;yttrium is C/C=C(\C=C(/C=C/CC)c1c[c-]c(C)cn1)OC.[Y].
What is the InChIKey of 2-[(2E,4E,6E)-3-methoxynona-2,4,6-trien-5-yl]-5-methyl-4H-pyridin-4-ide;yttrium?
The InChIKey is NIZWQGPWRVWJEO-YCSACDCZSA-N. The full InChI is InChI=1S/C16H20NO.Y/c1-5-7-8-14(11-15(6-2)18-4)16-10-9-13(3)12-17-16;/h6-8,10-12H,5H2,1-4H3;/q-1;/b8-7+,14-11+,15-6+;.
What are the key properties of 2-[(2E,4E,6E)-3-methoxynona-2,4,6-trien-5-yl]-5-methyl-4H-pyridin-4-ide;yttrium?
2-[(2E,4E,6E)-3-methoxynona-2,4,6-trien-5-yl]-5-methyl-4H-pyridin-4-ide;yttrium has a molecular weight of 331.25 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4E,6E)-3-methoxynona-2,4,6-trien-5-yl]-5-methyl-4H-pyridin-4-ide;yttrium is sourced from PubChem (CID 177235280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).