5-(ethoxymethyl)-2,3-dihydro-1H-pyridin-6-one

C8H13NO2 — CID 143931906

IUPAC5-(ethoxymethyl)-2,3-dihydro-1H-pyridin-6-one
SMILESCCOCC1=CCCNC1=O
InChIInChI=1S/C8H13NO2/c1-2-11-6-7-4-3-5-9-8(7)10/h4H,2-3,5-6H2,1H3,(H,9,10)
InChIKeyNUESCQCPVLBNKX-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.47
Rot. Bonds3

About 5-(ethoxymethyl)-2,3-dihydro-1H-pyridin-6-one

5-(ethoxymethyl)-2,3-dihydro-1H-pyridin-6-one (PubChem CID 143931906) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 5-(ethoxymethyl)-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name5-(ethoxymethyl)-2,3-dihydro-1H-pyridin-6-one
PubChem CID143931906
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name5-(ethoxymethyl)-2,3-dihydro-1H-pyridin-6-one
SMILESCCOCC1=CCCNC1=O
InChIInChI=1S/C8H13NO2/c1-2-11-6-7-4-3-5-9-8(7)10/h4H,2-3,5-6H2,1H3,(H,9,10)
InChIKeyNUESCQCPVLBNKX-UHFFFAOYSA-N
XLogP0.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of 5-(ethoxymethyl)-2,3-dihydro-1H-pyridin-6-one (CID 143931906) is 5-(ethoxymethyl)-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 5-(ethoxymethyl)-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for 5-(ethoxymethyl)-2,3-dihydro-1H-pyridin-6-one is CCOCC1=CCCNC1=O.
What is the InChIKey of 5-(ethoxymethyl)-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is NUESCQCPVLBNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-11-6-7-4-3-5-9-8(7)10/h4H,2-3,5-6H2,1H3,(H,9,10).
What are the key properties of 5-(ethoxymethyl)-2,3-dihydro-1H-pyridin-6-one?
5-(ethoxymethyl)-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 155.20 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 143931906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).