oxan-4-yl(pyridin-3-yl)methanone

C11H13NO2 — CID 11321445

IUPACoxan-4-yl(pyridin-3-yl)methanone
SMILESO=C(c1cccnc1)C1CCOCC1
InChIInChI=1S/C11H13NO2/c13-11(9-3-6-14-7-4-9)10-2-1-5-12-8-10/h1-2,5,8-9H,3-4,6-7H2
InChIKeyRPDXTMKRWPMHLF-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.69
Rot. Bonds2

About oxan-4-yl(pyridin-3-yl)methanone

oxan-4-yl(pyridin-3-yl)methanone (PubChem CID 11321445) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is oxan-4-yl(pyridin-3-yl)methanone.

Molecular Properties

Compound Nameoxan-4-yl(pyridin-3-yl)methanone
PubChem CID11321445
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Nameoxan-4-yl(pyridin-3-yl)methanone
SMILESO=C(c1cccnc1)C1CCOCC1
InChIInChI=1S/C11H13NO2/c13-11(9-3-6-14-7-4-9)10-2-1-5-12-8-10/h1-2,5,8-9H,3-4,6-7H2
InChIKeyRPDXTMKRWPMHLF-UHFFFAOYSA-N
XLogP1.69
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

piperidin-4-yl(pyridin-3-yl)methanone;hydrochloride
CID 46736476
(3-methylcyclopentyl)-pyridin-3-ylmethanone
CID 65402744
1,4-dioxane;pyridine-3-carbonyl chloride
CID 146303491
1-[4-(pyridine-3-carbonyl)piperidin-1-yl]prop-2-en-1-one
CID 152798944
pyridin-3-yl(spiro[3.3]heptan-2-yl)methanone
CID 164649275
5-(oxan-4-yl)-1-pyridin-3-ylpentan-1-one
CID 114191877
piperidin-3-yl(pyridin-3-yl)methanone;dihydrochloride
CID 73012650
N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 23144538
(3-bromophenyl)-(oxan-4-yl)methanone
CID 63934842
oxan-4-yl-(4-phenylphenyl)methanone
CID 62905640
N-[3-(cyclopropanecarbonyl)phenyl]pyridine-3-carboxamide
CID 82122759
3-(pyridine-3-carbonyl)bicyclo[3.2.1]octane-2,4-dione
CID 58332847

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl(pyridin-3-yl)methanone?
The IUPAC name of oxan-4-yl(pyridin-3-yl)methanone (CID 11321445) is oxan-4-yl(pyridin-3-yl)methanone.
What is the SMILES notation for oxan-4-yl(pyridin-3-yl)methanone?
The canonical SMILES for oxan-4-yl(pyridin-3-yl)methanone is O=C(c1cccnc1)C1CCOCC1.
What is the InChIKey of oxan-4-yl(pyridin-3-yl)methanone?
The InChIKey is RPDXTMKRWPMHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-11(9-3-6-14-7-4-9)10-2-1-5-12-8-10/h1-2,5,8-9H,3-4,6-7H2.
What are the key properties of oxan-4-yl(pyridin-3-yl)methanone?
oxan-4-yl(pyridin-3-yl)methanone has a molecular weight of 191.23 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl(pyridin-3-yl)methanone is sourced from PubChem (CID 11321445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).