potassium 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetate

C8H12KNO2 — CID 23682267

IUPACpotassium 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetate
SMILESCN1CC=C(CC(=O)[O-])CC1.[K+]
InChIInChI=1S/C8H13NO2.K/c1-9-4-2-7(3-5-9)6-8(10)11;/h2H,3-6H2,1H3,(H,10,11);/q;+1/p-1
InChIKeyCYUDHMQRPDGJBF-UHFFFAOYSA-M
MW193.29 g/mol
LogP-3.61
Rot. Bonds2

About potassium 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetate

potassium 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetate (PubChem CID 23682267) has the molecular formula C8H12KNO2 and a molecular weight of 193.29 g/mol. Its IUPAC name is potassium 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetate.

Molecular Properties

Compound Namepotassium 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetate
PubChem CID23682267
Molecular FormulaC8H12KNO2
Molecular Weight193.29 g/mol
Exact Mass193.05
IUPAC Namepotassium 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetate
SMILESCN1CC=C(CC(=O)[O-])CC1.[K+]
InChIInChI=1S/C8H13NO2.K/c1-9-4-2-7(3-5-9)6-8(10)11;/h2H,3-6H2,1H3,(H,10,11);/q;+1/p-1
InChIKeyCYUDHMQRPDGJBF-UHFFFAOYSA-M
XLogP-3.61
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 5-3.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetate?
The IUPAC name of potassium 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetate (CID 23682267) is potassium 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetate.
What is the SMILES notation for potassium 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetate?
The canonical SMILES for potassium 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetate is CN1CC=C(CC(=O)[O-])CC1.[K+].
What is the InChIKey of potassium 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetate?
The InChIKey is CYUDHMQRPDGJBF-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H13NO2.K/c1-9-4-2-7(3-5-9)6-8(10)11;/h2H,3-6H2,1H3,(H,10,11);/q;+1/p-1.
What are the key properties of potassium 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetate?
potassium 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetate has a molecular weight of 193.29 g/mol, XLogP of -3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetate is sourced from PubChem (CID 23682267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).