(4-ethoxyoxan-4-yl)-pyridin-3-ylmethanone

C13H17NO3 — CID 116748823

IUPAC(4-ethoxyoxan-4-yl)-pyridin-3-ylmethanone
SMILESCCOC1(C(=O)c2cccnc2)CCOCC1
InChIInChI=1S/C13H17NO3/c1-2-17-13(5-8-16-9-6-13)12(15)11-4-3-7-14-10-11/h3-4,7,10H,2,5-6,8-9H2,1H3
InChIKeyPVRXVEWOZWSWFJ-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.85
Rot. Bonds4

About (4-ethoxyoxan-4-yl)-pyridin-3-ylmethanone

(4-ethoxyoxan-4-yl)-pyridin-3-ylmethanone (PubChem CID 116748823) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (4-ethoxyoxan-4-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(4-ethoxyoxan-4-yl)-pyridin-3-ylmethanone
PubChem CID116748823
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(4-ethoxyoxan-4-yl)-pyridin-3-ylmethanone
SMILESCCOC1(C(=O)c2cccnc2)CCOCC1
InChIInChI=1S/C13H17NO3/c1-2-17-13(5-8-16-9-6-13)12(15)11-4-3-7-14-10-11/h3-4,7,10H,2,5-6,8-9H2,1H3
InChIKeyPVRXVEWOZWSWFJ-UHFFFAOYSA-N
XLogP1.85
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 116748922
(2,6-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 116810111
(3-chloro-4-methylphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 107559961
(4-methoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methanone
CID 116748710
(1-morpholin-4-ylcyclopentyl)-pyridin-3-ylmethanone
CID 79058779
1,4-dioxane;pyridine-3-carbonyl chloride
CID 146303491
1-(pyridine-3-carbonyl)cyclobutane-1-carboxylic acid
CID 116921877
oxan-4-yl(pyridin-3-yl)methanone
CID 11321445
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
(1-ethoxycyclohexyl)-(5-fluoro-3-pyridinyl)methanone
CID 116748235
ethyl pyridine-3-carboperoxoate
CID 143721352
1-(pyridine-3-carbonyl)cyclobutane-1-carbonitrile
CID 116921578

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyoxan-4-yl)-pyridin-3-ylmethanone?
The IUPAC name of (4-ethoxyoxan-4-yl)-pyridin-3-ylmethanone (CID 116748823) is (4-ethoxyoxan-4-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (4-ethoxyoxan-4-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (4-ethoxyoxan-4-yl)-pyridin-3-ylmethanone is CCOC1(C(=O)c2cccnc2)CCOCC1.
What is the InChIKey of (4-ethoxyoxan-4-yl)-pyridin-3-ylmethanone?
The InChIKey is PVRXVEWOZWSWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-2-17-13(5-8-16-9-6-13)12(15)11-4-3-7-14-10-11/h3-4,7,10H,2,5-6,8-9H2,1H3.
What are the key properties of (4-ethoxyoxan-4-yl)-pyridin-3-ylmethanone?
(4-ethoxyoxan-4-yl)-pyridin-3-ylmethanone has a molecular weight of 235.28 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyoxan-4-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 116748823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).