2-but-1-en-2-yl-3-ethyl-5,6-dimethyl-4H-pyridin-4-ide;yttrium

C13H18NY- — CID 59105237

IUPAC2-but-1-en-2-yl-3-ethyl-5,6-dimethyl-4H-pyridin-4-ide;yttrium
SMILESC=C(CC)c1nc(C)c(C)[c-]c1CC.[Y]
InChIInChI=1S/C13H18N.Y/c1-6-9(3)13-12(7-2)8-10(4)11(5)14-13;/h3,6-7H2,1-2,4-5H3;/q-1;
InChIKeyNCDDMULXUHSZAC-UHFFFAOYSA-N
MW277.20 g/mol
LogP3.48
Rot. Bonds3

About 2-but-1-en-2-yl-3-ethyl-5,6-dimethyl-4H-pyridin-4-ide;yttrium

2-but-1-en-2-yl-3-ethyl-5,6-dimethyl-4H-pyridin-4-ide;yttrium (PubChem CID 59105237) has the molecular formula C13H18NY- and a molecular weight of 277.20 g/mol. Its IUPAC name is 2-but-1-en-2-yl-3-ethyl-5,6-dimethyl-4H-pyridin-4-ide;yttrium.

Molecular Properties

Compound Name2-but-1-en-2-yl-3-ethyl-5,6-dimethyl-4H-pyridin-4-ide;yttrium
PubChem CID59105237
Molecular FormulaC13H18NY-
Molecular Weight277.20 g/mol
Exact Mass277.05
IUPAC Name2-but-1-en-2-yl-3-ethyl-5,6-dimethyl-4H-pyridin-4-ide;yttrium
SMILESC=C(CC)c1nc(C)c(C)[c-]c1CC.[Y]
InChIInChI=1S/C13H18N.Y/c1-6-9(3)13-12(7-2)8-10(4)11(5)14-13;/h3,6-7H2,1-2,4-5H3;/q-1;
InChIKeyNCDDMULXUHSZAC-UHFFFAOYSA-N
XLogP3.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(E)-5-fluoro-3-methylidene-N-pent-1-en-2-ylhex-4-en-2-imine
CID 145128279
carbanide;2,3,5,6-tetramethyl-4H-pyridin-4-ide;yttrium
CID 58651170
2,3-Dimethyl-4,5-dihydrocyclopenta[b]pyridin-4-ide;yttrium
CID 59059997
2-but-1-en-2-yl-3-ethyl-5,6-dimethyl-1-oxido-4H-pyridin-1-ium-4-ide;yttrium
CID 59105233
2-but-1-en-2-yl-3-ethyl-1,5,6-trimethyl-4H-pyridin-1-ium-4-ide;yttrium
CID 59105241
2,4,5-Trimethyl-3,6-dimethylidenepyridine
CID 59775903
2,3,4-trimethyl-8H-quinolin-8-ide;yttrium
CID 59977116
propane;3,4,5,6-tetramethyl-2H-pyridin-2-ide;yttrium
CID 60098572
4,5,6-trimethyl-2-prop-1-en-2-yl-3H-pyridin-3-ide;yttrium
CID 60125726
2-Methyl-3,6-dimethylidenepyridine
CID 70499080
N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-3-methylbut-3-en-2-imine
CID 88948199
(5Z,6E)-2-methyl-6-prop-2-enylidene-3-propyl-5-propylidenepyridine
CID 89256584

Frequently Asked Questions

What is the IUPAC name of 2-but-1-en-2-yl-3-ethyl-5,6-dimethyl-4H-pyridin-4-ide;yttrium?
The IUPAC name of 2-but-1-en-2-yl-3-ethyl-5,6-dimethyl-4H-pyridin-4-ide;yttrium (CID 59105237) is 2-but-1-en-2-yl-3-ethyl-5,6-dimethyl-4H-pyridin-4-ide;yttrium.
What is the SMILES notation for 2-but-1-en-2-yl-3-ethyl-5,6-dimethyl-4H-pyridin-4-ide;yttrium?
The canonical SMILES for 2-but-1-en-2-yl-3-ethyl-5,6-dimethyl-4H-pyridin-4-ide;yttrium is C=C(CC)c1nc(C)c(C)[c-]c1CC.[Y].
What is the InChIKey of 2-but-1-en-2-yl-3-ethyl-5,6-dimethyl-4H-pyridin-4-ide;yttrium?
The InChIKey is NCDDMULXUHSZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N.Y/c1-6-9(3)13-12(7-2)8-10(4)11(5)14-13;/h3,6-7H2,1-2,4-5H3;/q-1;.
What are the key properties of 2-but-1-en-2-yl-3-ethyl-5,6-dimethyl-4H-pyridin-4-ide;yttrium?
2-but-1-en-2-yl-3-ethyl-5,6-dimethyl-4H-pyridin-4-ide;yttrium has a molecular weight of 277.20 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-en-2-yl-3-ethyl-5,6-dimethyl-4H-pyridin-4-ide;yttrium is sourced from PubChem (CID 59105237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).