3-(3-ethoxypropyl)-1H-pyridin-2-one

C10H15NO2 — CID 141361631

IUPAC3-(3-ethoxypropyl)-1H-pyridin-2-one
SMILESCCOCCCc1ccc[nH]c1=O
InChIInChI=1S/C10H15NO2/c1-2-13-8-4-6-9-5-3-7-11-10(9)12/h3,5,7H,2,4,6,8H2,1H3,(H,11,12)
InChIKeyZDTZHPVABIPSOV-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.34
Rot. Bonds5

About 3-(3-ethoxypropyl)-1H-pyridin-2-one

3-(3-ethoxypropyl)-1H-pyridin-2-one (PubChem CID 141361631) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-(3-ethoxypropyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3-ethoxypropyl)-1H-pyridin-2-one
PubChem CID141361631
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-(3-ethoxypropyl)-1H-pyridin-2-one
SMILESCCOCCCc1ccc[nH]c1=O
InChIInChI=1S/C10H15NO2/c1-2-13-8-4-6-9-5-3-7-11-10(9)12/h3,5,7H,2,4,6,8H2,1H3,(H,11,12)
InChIKeyZDTZHPVABIPSOV-UHFFFAOYSA-N
XLogP1.34
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxypropyl)-1H-pyridin-2-one?
The IUPAC name of 3-(3-ethoxypropyl)-1H-pyridin-2-one (CID 141361631) is 3-(3-ethoxypropyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(3-ethoxypropyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(3-ethoxypropyl)-1H-pyridin-2-one is CCOCCCc1ccc[nH]c1=O.
What is the InChIKey of 3-(3-ethoxypropyl)-1H-pyridin-2-one?
The InChIKey is ZDTZHPVABIPSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-13-8-4-6-9-5-3-7-11-10(9)12/h3,5,7H,2,4,6,8H2,1H3,(H,11,12).
What are the key properties of 3-(3-ethoxypropyl)-1H-pyridin-2-one?
3-(3-ethoxypropyl)-1H-pyridin-2-one has a molecular weight of 181.23 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypropyl)-1H-pyridin-2-one is sourced from PubChem (CID 141361631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).