3-ethoxy-1H-pyridin-2-one

C7H9NO2 — CID 68698502

IUPAC3-ethoxy-1H-pyridin-2-one
SMILESCCOc1ccc[nH]c1=O
InChIInChI=1S/C7H9NO2/c1-2-10-6-4-3-5-8-7(6)9/h3-5H,2H2,1H3,(H,8,9)
InChIKeyLOOYDAFVHQHKCW-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.77
Rot. Bonds2

About 3-ethoxy-1H-pyridin-2-one

3-ethoxy-1H-pyridin-2-one (PubChem CID 68698502) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 3-ethoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name3-ethoxy-1H-pyridin-2-one
PubChem CID68698502
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name3-ethoxy-1H-pyridin-2-one
SMILESCCOc1ccc[nH]c1=O
InChIInChI=1S/C7H9NO2/c1-2-10-6-4-3-5-8-7(6)9/h3-5H,2H2,1H3,(H,8,9)
InChIKeyLOOYDAFVHQHKCW-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 3-ethoxy-1H-pyridin-2-one?
The IUPAC name of 3-ethoxy-1H-pyridin-2-one (CID 68698502) is 3-ethoxy-1H-pyridin-2-one.
What is the SMILES notation for 3-ethoxy-1H-pyridin-2-one?
The canonical SMILES for 3-ethoxy-1H-pyridin-2-one is CCOc1ccc[nH]c1=O.
What is the InChIKey of 3-ethoxy-1H-pyridin-2-one?
The InChIKey is LOOYDAFVHQHKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-2-10-6-4-3-5-8-7(6)9/h3-5H,2H2,1H3,(H,8,9).
What are the key properties of 3-ethoxy-1H-pyridin-2-one?
3-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 3-ethoxy-1H-pyridin-2-one is sourced from PubChem (CID 68698502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).