2-ethyl-3-methoxy-1H-pyridin-4-one

C8H11NO2 — CID 140970696

IUPAC2-ethyl-3-methoxy-1H-pyridin-4-one
SMILESCCc1[nH]ccc(=O)c1OC
InChIInChI=1S/C8H11NO2/c1-3-6-8(11-2)7(10)4-5-9-6/h4-5H,3H2,1-2H3,(H,9,10)
InChIKeyYADMMAVEGITASR-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.95
Rot. Bonds2

About 2-ethyl-3-methoxy-1H-pyridin-4-one

2-ethyl-3-methoxy-1H-pyridin-4-one (PubChem CID 140970696) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-ethyl-3-methoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-ethyl-3-methoxy-1H-pyridin-4-one
PubChem CID140970696
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-ethyl-3-methoxy-1H-pyridin-4-one
SMILESCCc1[nH]ccc(=O)c1OC
InChIInChI=1S/C8H11NO2/c1-3-6-8(11-2)7(10)4-5-9-6/h4-5H,3H2,1-2H3,(H,9,10)
InChIKeyYADMMAVEGITASR-UHFFFAOYSA-N
XLogP0.95
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methoxy-1H-pyridin-4-one?
The IUPAC name of 2-ethyl-3-methoxy-1H-pyridin-4-one (CID 140970696) is 2-ethyl-3-methoxy-1H-pyridin-4-one.
What is the SMILES notation for 2-ethyl-3-methoxy-1H-pyridin-4-one?
The canonical SMILES for 2-ethyl-3-methoxy-1H-pyridin-4-one is CCc1[nH]ccc(=O)c1OC.
What is the InChIKey of 2-ethyl-3-methoxy-1H-pyridin-4-one?
The InChIKey is YADMMAVEGITASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-3-6-8(11-2)7(10)4-5-9-6/h4-5H,3H2,1-2H3,(H,9,10).
What are the key properties of 2-ethyl-3-methoxy-1H-pyridin-4-one?
2-ethyl-3-methoxy-1H-pyridin-4-one has a molecular weight of 153.18 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methoxy-1H-pyridin-4-one is sourced from PubChem (CID 140970696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).