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

C13H19NY — CID 159950958

IUPAC5-ethyl-1,2,3-trimethyl-6-prop-1-en-2-yl-4H-pyridin-1-ium-4-ide;yttrium
SMILESC=C(C)c1c(CC)[c-]c(C)c(C)[n+]1C.[Y]
InChIInChI=1S/C13H19N.Y/c1-7-12-8-10(4)11(5)14(6)13(12)9(2)3;/h2,7H2,1,3-6H3;
InChIKeyOCCKQIHISWLFHC-UHFFFAOYSA-N
MW278.21 g/mol
LogP2.52
Rot. Bonds2

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

5-ethyl-1,2,3-trimethyl-6-prop-1-en-2-yl-4H-pyridin-1-ium-4-ide;yttrium (PubChem CID 159950958) has the molecular formula C13H19NY and a molecular weight of 278.21 g/mol. Its IUPAC name is 5-ethyl-1,2,3-trimethyl-6-prop-1-en-2-yl-4H-pyridin-1-ium-4-ide;yttrium.

Molecular Properties

Compound Name5-ethyl-1,2,3-trimethyl-6-prop-1-en-2-yl-4H-pyridin-1-ium-4-ide;yttrium
PubChem CID159950958
Molecular FormulaC13H19NY
Molecular Weight278.21 g/mol
Exact Mass278.06
IUPAC Name5-ethyl-1,2,3-trimethyl-6-prop-1-en-2-yl-4H-pyridin-1-ium-4-ide;yttrium
SMILESC=C(C)c1c(CC)[c-]c(C)c(C)[n+]1C.[Y]
InChIInChI=1S/C13H19N.Y/c1-7-12-8-10(4)11(5)14(6)13(12)9(2)3;/h2,7H2,1,3-6H3;
InChIKeyOCCKQIHISWLFHC-UHFFFAOYSA-N
XLogP2.52
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 52.52
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'}

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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
2-but-1-en-2-yl-3-ethyl-1,5,6-trimethyl-4H-pyridin-1-ium-4-ide;yttrium
CID 59105241
(2E,4E)-N,N-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-2-amine
CID 89441651
N-[(4E)-2-methylhexa-2,4-dien-3-yl]-6-methylidenecyclohexa-2,4-dien-1-imine
CID 89441658
N,N-dimethyl-3-prop-1-enyl-2-azabicyclo[5.4.0]undeca-1,3,5,6,8,10-hexaen-4-amine
CID 91390701
1,2,3,4-Tetramethyl-5-methylidenepyrrol-1-ium
CID 118097722
1-[3,4-bis(methylimino)cyclohexa-1,5-dien-1-yl]-N,N-dimethylethenamine
CID 132039809
1,2-Dimethyl-6,7-dihydroquinolin-1-ium;ethane
CID 144659210
(3Z)-3-butan-2-ylidene-N,N-dimethyl-4-methyliminocyclohexa-1,5-dien-1-amine
CID 157044219
N,N,2,5,6-pentamethyl-3-methylimino-4-propan-2-ylidenecyclohexa-1,5-dien-1-amine
CID 170025166
ethane;[(6Z)-6-ethylidene-4-methylcyclohexa-2,4-dien-1-ylidene]-dimethylazanium
CID 171089882
[(6Z)-6-ethylidene-4-methylcyclohexa-2,4-dien-1-ylidene]-dimethylazanium
CID 171089883

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,2,3-trimethyl-6-prop-1-en-2-yl-4H-pyridin-1-ium-4-ide;yttrium?
The IUPAC name of 5-ethyl-1,2,3-trimethyl-6-prop-1-en-2-yl-4H-pyridin-1-ium-4-ide;yttrium (CID 159950958) is 5-ethyl-1,2,3-trimethyl-6-prop-1-en-2-yl-4H-pyridin-1-ium-4-ide;yttrium.
What is the SMILES notation for 5-ethyl-1,2,3-trimethyl-6-prop-1-en-2-yl-4H-pyridin-1-ium-4-ide;yttrium?
The canonical SMILES for 5-ethyl-1,2,3-trimethyl-6-prop-1-en-2-yl-4H-pyridin-1-ium-4-ide;yttrium is C=C(C)c1c(CC)[c-]c(C)c(C)[n+]1C.[Y].
What is the InChIKey of 5-ethyl-1,2,3-trimethyl-6-prop-1-en-2-yl-4H-pyridin-1-ium-4-ide;yttrium?
The InChIKey is OCCKQIHISWLFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.Y/c1-7-12-8-10(4)11(5)14(6)13(12)9(2)3;/h2,7H2,1,3-6H3;.
What are the key properties of 5-ethyl-1,2,3-trimethyl-6-prop-1-en-2-yl-4H-pyridin-1-ium-4-ide;yttrium?
5-ethyl-1,2,3-trimethyl-6-prop-1-en-2-yl-4H-pyridin-1-ium-4-ide;yttrium has a molecular weight of 278.21 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,2,3-trimethyl-6-prop-1-en-2-yl-4H-pyridin-1-ium-4-ide;yttrium is sourced from PubChem (CID 159950958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).