4-ethoxy-1H-pyridin-2-one

C7H9NO2 — CID 817729

IUPAC4-ethoxy-1H-pyridin-2-one
SMILESCCOc1cc[nH]c(=O)c1
InChIInChI=1S/C7H9NO2/c1-2-10-6-3-4-8-7(9)5-6/h3-5H,2H2,1H3,(H,8,9)
InChIKeyBBHMRJVDQITBGF-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.77
Rot. Bonds2

About 4-ethoxy-1H-pyridin-2-one

4-ethoxy-1H-pyridin-2-one (PubChem CID 817729) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 4-ethoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name4-ethoxy-1H-pyridin-2-one
PubChem CID817729
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name4-ethoxy-1H-pyridin-2-one
SMILESCCOc1cc[nH]c(=O)c1
InChIInChI=1S/C7H9NO2/c1-2-10-6-3-4-8-7(9)5-6/h3-5H,2H2,1H3,(H,8,9)
InChIKeyBBHMRJVDQITBGF-UHFFFAOYSA-N
XLogP0.77
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1H-pyridin-2-one?
The IUPAC name of 4-ethoxy-1H-pyridin-2-one (CID 817729) is 4-ethoxy-1H-pyridin-2-one.
What is the SMILES notation for 4-ethoxy-1H-pyridin-2-one?
The canonical SMILES for 4-ethoxy-1H-pyridin-2-one is CCOc1cc[nH]c(=O)c1.
What is the InChIKey of 4-ethoxy-1H-pyridin-2-one?
The InChIKey is BBHMRJVDQITBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-2-10-6-3-4-8-7(9)5-6/h3-5H,2H2,1H3,(H,8,9).
What are the key properties of 4-ethoxy-1H-pyridin-2-one?
4-ethoxy-1H-pyridin-2-one has a molecular weight of 139.15 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1H-pyridin-2-one is sourced from PubChem (CID 817729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).