(2,6-dimethyl-4-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone

C15H19NO2 — CID 171943649

IUPAC(2,6-dimethyl-4-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESCc1cc(C(=O)C2CC3CCC(C2)O3)cc(C)n1
InChIInChI=1S/C15H19NO2/c1-9-5-11(6-10(2)16-9)15(17)12-7-13-3-4-14(8-12)18-13/h5-6,12-14H,3-4,7-8H2,1-2H3
InChIKeyGSZYIWPCWZTARF-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.84
Rot. Bonds2

About (2,6-dimethyl-4-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone

(2,6-dimethyl-4-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171943649) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (2,6-dimethyl-4-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethyl-4-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171943649
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(2,6-dimethyl-4-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESCc1cc(C(=O)C2CC3CCC(C2)O3)cc(C)n1
InChIInChI=1S/C15H19NO2/c1-9-5-11(6-10(2)16-9)15(17)12-7-13-3-4-14(8-12)18-13/h5-6,12-14H,3-4,7-8H2,1-2H3
InChIKeyGSZYIWPCWZTARF-UHFFFAOYSA-N
XLogP2.84
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-4-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (2,6-dimethyl-4-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone (CID 171943649) is (2,6-dimethyl-4-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (2,6-dimethyl-4-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (2,6-dimethyl-4-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone is Cc1cc(C(=O)C2CC3CCC(C2)O3)cc(C)n1.
What is the InChIKey of (2,6-dimethyl-4-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is GSZYIWPCWZTARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-9-5-11(6-10(2)16-9)15(17)12-7-13-3-4-14(8-12)18-13/h5-6,12-14H,3-4,7-8H2,1-2H3.
What are the key properties of (2,6-dimethyl-4-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
(2,6-dimethyl-4-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 245.32 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-4-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171943649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).