1-(ethoxymethyl)pyridin-4-one

C8H11NO2 — CID 14143621

IUPAC1-(ethoxymethyl)pyridin-4-one
SMILESCCOCn1ccc(=O)cc1
InChIInChI=1S/C8H11NO2/c1-2-11-7-9-5-3-8(10)4-6-9/h3-6H,2,7H2,1H3
InChIKeyVBFAXBBRQDWXRB-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.84
Rot. Bonds3

About 1-(ethoxymethyl)pyridin-4-one

1-(ethoxymethyl)pyridin-4-one (PubChem CID 14143621) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-(ethoxymethyl)pyridin-4-one.

Molecular Properties

Compound Name1-(ethoxymethyl)pyridin-4-one
PubChem CID14143621
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name1-(ethoxymethyl)pyridin-4-one
SMILESCCOCn1ccc(=O)cc1
InChIInChI=1S/C8H11NO2/c1-2-11-7-9-5-3-8(10)4-6-9/h3-6H,2,7H2,1H3
InChIKeyVBFAXBBRQDWXRB-UHFFFAOYSA-N
XLogP0.84
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)pyridin-4-one?
The IUPAC name of 1-(ethoxymethyl)pyridin-4-one (CID 14143621) is 1-(ethoxymethyl)pyridin-4-one.
What is the SMILES notation for 1-(ethoxymethyl)pyridin-4-one?
The canonical SMILES for 1-(ethoxymethyl)pyridin-4-one is CCOCn1ccc(=O)cc1.
What is the InChIKey of 1-(ethoxymethyl)pyridin-4-one?
The InChIKey is VBFAXBBRQDWXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-11-7-9-5-3-8(10)4-6-9/h3-6H,2,7H2,1H3.
What are the key properties of 1-(ethoxymethyl)pyridin-4-one?
1-(ethoxymethyl)pyridin-4-one has a molecular weight of 153.18 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)pyridin-4-one is sourced from PubChem (CID 14143621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).