2,2-diethoxy-1-pyridin-2-ylethanone

C11H15NO3 — CID 13057565

IUPAC2,2-diethoxy-1-pyridin-2-ylethanone
SMILESCCOC(OCC)C(=O)c1ccccn1
InChIInChI=1S/C11H15NO3/c1-3-14-11(15-4-2)10(13)9-7-5-6-8-12-9/h5-8,11H,3-4H2,1-2H3
InChIKeyGPTPEKRYLOZOCX-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.66
Rot. Bonds6

About 2,2-diethoxy-1-pyridin-2-ylethanone

2,2-diethoxy-1-pyridin-2-ylethanone (PubChem CID 13057565) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2,2-diethoxy-1-pyridin-2-ylethanone.

Molecular Properties

Compound Name2,2-diethoxy-1-pyridin-2-ylethanone
PubChem CID13057565
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2,2-diethoxy-1-pyridin-2-ylethanone
SMILESCCOC(OCC)C(=O)c1ccccn1
InChIInChI=1S/C11H15NO3/c1-3-14-11(15-4-2)10(13)9-7-5-6-8-12-9/h5-8,11H,3-4H2,1-2H3
InChIKeyGPTPEKRYLOZOCX-UHFFFAOYSA-N
XLogP1.66
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl pyridine-2-carboxylate
CID 17307
diethyl 2-(2-pyridin-2-ylprop-2-enoyl)propanedioate
CID 89130402
4-ethoxy-1-pyridin-2-ylbutan-1-one
CID 45074562
ethyl 3-hydroxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate
CID 88995509
butane;ethane;1-pyridin-2-ylpropan-1-one
CID 144892300
2-amino-3-oxo-3-pyridin-2-ylpropanoic acid
CID 116920563
N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 43392707
ethyl (E)-3-pyridin-2-ylbut-2-enoate
CID 22236931
2-methyl-1-pyridin-2-ylhex-4-en-1-one
CID 131866661
propan-2-one;1-pyridin-2-ylethanone
CID 158043833
1-pyridin-2-ylethanone;dihydrochloride
CID 174550471
ethane;pyridine-2-carbonyl chloride
CID 158598971

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-1-pyridin-2-ylethanone?
The IUPAC name of 2,2-diethoxy-1-pyridin-2-ylethanone (CID 13057565) is 2,2-diethoxy-1-pyridin-2-ylethanone.
What is the SMILES notation for 2,2-diethoxy-1-pyridin-2-ylethanone?
The canonical SMILES for 2,2-diethoxy-1-pyridin-2-ylethanone is CCOC(OCC)C(=O)c1ccccn1.
What is the InChIKey of 2,2-diethoxy-1-pyridin-2-ylethanone?
The InChIKey is GPTPEKRYLOZOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-14-11(15-4-2)10(13)9-7-5-6-8-12-9/h5-8,11H,3-4H2,1-2H3.
What are the key properties of 2,2-diethoxy-1-pyridin-2-ylethanone?
2,2-diethoxy-1-pyridin-2-ylethanone has a molecular weight of 209.25 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-1-pyridin-2-ylethanone is sourced from PubChem (CID 13057565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).