(5-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone

C14H17NO2 — CID 171950409

IUPAC(5-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESCc1cncc(C(=O)C2CC3CCC(C2)O3)c1
InChIInChI=1S/C14H17NO2/c1-9-4-11(8-15-7-9)14(16)10-5-12-2-3-13(6-10)17-12/h4,7-8,10,12-13H,2-3,5-6H2,1H3
InChIKeyMLBMUKRJEKHOAK-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.53
Rot. Bonds2

About (5-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone

(5-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171950409) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is (5-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(5-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171950409
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name(5-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESCc1cncc(C(=O)C2CC3CCC(C2)O3)c1
InChIInChI=1S/C14H17NO2/c1-9-4-11(8-15-7-9)14(16)10-5-12-2-3-13(6-10)17-12/h4,7-8,10,12-13H,2-3,5-6H2,1H3
InChIKeyMLBMUKRJEKHOAK-UHFFFAOYSA-N
XLogP2.53
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone with MolForge

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Related Compounds

(5-methyl-3-pyridinyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171950411
(2,6-dimethyl-4-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171943649
(4-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171950826
(5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanone
CID 115374008
(4-tert-butylcyclohexyl)-(5-methyl-3-pyridinyl)methanone
CID 113297061
8-oxabicyclo[3.2.1]octan-3-yl(1,2-oxazol-4-yl)methanone
CID 171938724
(4-methoxy-3,5-dimethylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171940676
(4-aminooxolan-3-yl)-(5-methyl-3-pyridinyl)methanone
CID 116587515
(5-methyl-3-pyridinyl)-pyrrolidin-2-ylmethanone
CID 116547444
[3-methyl-4-(trifluoromethyl)phenyl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171949890
(2-fluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171944974
(4-methylmorpholin-2-yl)-(5-methyl-3-pyridinyl)methanone
CID 115374040

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (5-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone (CID 171950409) is (5-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (5-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (5-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone is Cc1cncc(C(=O)C2CC3CCC(C2)O3)c1.
What is the InChIKey of (5-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is MLBMUKRJEKHOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9-4-11(8-15-7-9)14(16)10-5-12-2-3-13(6-10)17-12/h4,7-8,10,12-13H,2-3,5-6H2,1H3.
What are the key properties of (5-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
(5-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 231.29 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171950409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).