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

C14H21NY — CID 59105241

IUPAC2-but-1-en-2-yl-3-ethyl-1,5,6-trimethyl-4H-pyridin-1-ium-4-ide;yttrium
SMILESC=C(CC)c1c(CC)[c-]c(C)c(C)[n+]1C.[Y]
InChIInChI=1S/C14H21N.Y/c1-7-10(3)14-13(8-2)9-11(4)12(5)15(14)6;/h3,7-8H2,1-2,4-6H3;
InChIKeyLVKXIURAMODQTF-UHFFFAOYSA-N
MW292.24 g/mol
LogP2.91
Rot. Bonds3

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

2-but-1-en-2-yl-3-ethyl-1,5,6-trimethyl-4H-pyridin-1-ium-4-ide;yttrium (PubChem CID 59105241) has the molecular formula C14H21NY and a molecular weight of 292.24 g/mol. Its IUPAC name is 2-but-1-en-2-yl-3-ethyl-1,5,6-trimethyl-4H-pyridin-1-ium-4-ide;yttrium.

Molecular Properties

Compound Name2-but-1-en-2-yl-3-ethyl-1,5,6-trimethyl-4H-pyridin-1-ium-4-ide;yttrium
PubChem CID59105241
Molecular FormulaC14H21NY
Molecular Weight292.24 g/mol
Exact Mass292.07
IUPAC Name2-but-1-en-2-yl-3-ethyl-1,5,6-trimethyl-4H-pyridin-1-ium-4-ide;yttrium
SMILESC=C(CC)c1c(CC)[c-]c(C)c(C)[n+]1C.[Y]
InChIInChI=1S/C14H21N.Y/c1-7-10(3)14-13(8-2)9-11(4)12(5)15(14)6;/h3,7-8H2,1-2,4-6H3;
InChIKeyLVKXIURAMODQTF-UHFFFAOYSA-N
XLogP2.91
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-but-1-en-2-yl-3-ethyl-1,5,6-trimethyl-4H-pyridin-1-ium-4-ide;yttrium with MolForge

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Launch Full Analysis

Related Compounds

2-but-1-en-2-yl-3-ethyl-5,6-dimethyl-4H-pyridin-4-ide;yttrium
CID 59105237
(2E,4E)-N,N-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-2-amine
CID 89441651
N,N-dimethyl-3-prop-1-enyl-2-azabicyclo[5.4.0]undeca-1,3,5,6,8,10-hexaen-4-amine
CID 91390701
1-[3,4-bis(methylimino)cyclohexa-1,5-dien-1-yl]-N,N-dimethylethenamine
CID 132039809
(3Z)-3-butan-2-ylidene-N,N-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine
CID 157044219
5-ethyl-1,2,3-trimethyl-6-prop-1-en-2-yl-4H-pyridin-1-ium-4-ide;yttrium
CID 159950958

Frequently Asked Questions

What is the IUPAC name of 2-but-1-en-2-yl-3-ethyl-1,5,6-trimethyl-4H-pyridin-1-ium-4-ide;yttrium?
The IUPAC name of 2-but-1-en-2-yl-3-ethyl-1,5,6-trimethyl-4H-pyridin-1-ium-4-ide;yttrium (CID 59105241) is 2-but-1-en-2-yl-3-ethyl-1,5,6-trimethyl-4H-pyridin-1-ium-4-ide;yttrium.
What is the SMILES notation for 2-but-1-en-2-yl-3-ethyl-1,5,6-trimethyl-4H-pyridin-1-ium-4-ide;yttrium?
The canonical SMILES for 2-but-1-en-2-yl-3-ethyl-1,5,6-trimethyl-4H-pyridin-1-ium-4-ide;yttrium is C=C(CC)c1c(CC)[c-]c(C)c(C)[n+]1C.[Y].
What is the InChIKey of 2-but-1-en-2-yl-3-ethyl-1,5,6-trimethyl-4H-pyridin-1-ium-4-ide;yttrium?
The InChIKey is LVKXIURAMODQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N.Y/c1-7-10(3)14-13(8-2)9-11(4)12(5)15(14)6;/h3,7-8H2,1-2,4-6H3;.
What are the key properties of 2-but-1-en-2-yl-3-ethyl-1,5,6-trimethyl-4H-pyridin-1-ium-4-ide;yttrium?
2-but-1-en-2-yl-3-ethyl-1,5,6-trimethyl-4H-pyridin-1-ium-4-ide;yttrium has a molecular weight of 292.24 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-en-2-yl-3-ethyl-1,5,6-trimethyl-4H-pyridin-1-ium-4-ide;yttrium is sourced from PubChem (CID 59105241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).