6-(3,3-diethoxypropyl)-1H-pyridin-2-one

C12H19NO3 — CID 584306

IUPAC6-(3,3-diethoxypropyl)-1H-pyridin-2-one
SMILESCCOC(CCc1cccc(=O)[nH]1)OCC
InChIInChI=1S/C12H19NO3/c1-3-15-12(16-4-2)9-8-10-6-5-7-11(14)13-10/h5-7,12H,3-4,8-9H2,1-2H3,(H,13,14)
InChIKeyBBYOLKLIKJLQFG-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.71
Rot. Bonds7

About 6-(3,3-diethoxypropyl)-1H-pyridin-2-one

6-(3,3-diethoxypropyl)-1H-pyridin-2-one (PubChem CID 584306) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 6-(3,3-diethoxypropyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(3,3-diethoxypropyl)-1H-pyridin-2-one
PubChem CID584306
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name6-(3,3-diethoxypropyl)-1H-pyridin-2-one
SMILESCCOC(CCc1cccc(=O)[nH]1)OCC
InChIInChI=1S/C12H19NO3/c1-3-15-12(16-4-2)9-8-10-6-5-7-11(14)13-10/h5-7,12H,3-4,8-9H2,1-2H3,(H,13,14)
InChIKeyBBYOLKLIKJLQFG-UHFFFAOYSA-N
XLogP1.71
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-diethoxypropyl)-1H-pyridin-2-one?
The IUPAC name of 6-(3,3-diethoxypropyl)-1H-pyridin-2-one (CID 584306) is 6-(3,3-diethoxypropyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(3,3-diethoxypropyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(3,3-diethoxypropyl)-1H-pyridin-2-one is CCOC(CCc1cccc(=O)[nH]1)OCC.
What is the InChIKey of 6-(3,3-diethoxypropyl)-1H-pyridin-2-one?
The InChIKey is BBYOLKLIKJLQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-3-15-12(16-4-2)9-8-10-6-5-7-11(14)13-10/h5-7,12H,3-4,8-9H2,1-2H3,(H,13,14).
What are the key properties of 6-(3,3-diethoxypropyl)-1H-pyridin-2-one?
6-(3,3-diethoxypropyl)-1H-pyridin-2-one has a molecular weight of 225.29 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-diethoxypropyl)-1H-pyridin-2-one is sourced from PubChem (CID 584306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).