(2,6-dimethyl-3-pyridinyl)-(oxan-4-yl)methanone

C13H17NO2 — CID 105099428

IUPAC(2,6-dimethyl-3-pyridinyl)-(oxan-4-yl)methanone
SMILESCc1ccc(C(=O)C2CCOCC2)c(C)n1
InChIInChI=1S/C13H17NO2/c1-9-3-4-12(10(2)14-9)13(15)11-5-7-16-8-6-11/h3-4,11H,5-8H2,1-2H3
InChIKeyRMYXNYNPCXEYQW-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.31
Rot. Bonds2

About (2,6-dimethyl-3-pyridinyl)-(oxan-4-yl)methanone

(2,6-dimethyl-3-pyridinyl)-(oxan-4-yl)methanone (PubChem CID 105099428) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (2,6-dimethyl-3-pyridinyl)-(oxan-4-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethyl-3-pyridinyl)-(oxan-4-yl)methanone
PubChem CID105099428
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(2,6-dimethyl-3-pyridinyl)-(oxan-4-yl)methanone
SMILESCc1ccc(C(=O)C2CCOCC2)c(C)n1
InChIInChI=1S/C13H17NO2/c1-9-3-4-12(10(2)14-9)13(15)11-5-7-16-8-6-11/h3-4,11H,5-8H2,1-2H3
InChIKeyRMYXNYNPCXEYQW-UHFFFAOYSA-N
XLogP2.31
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-3-pyridinyl)-(oxan-4-yl)methanone?
The IUPAC name of (2,6-dimethyl-3-pyridinyl)-(oxan-4-yl)methanone (CID 105099428) is (2,6-dimethyl-3-pyridinyl)-(oxan-4-yl)methanone.
What is the SMILES notation for (2,6-dimethyl-3-pyridinyl)-(oxan-4-yl)methanone?
The canonical SMILES for (2,6-dimethyl-3-pyridinyl)-(oxan-4-yl)methanone is Cc1ccc(C(=O)C2CCOCC2)c(C)n1.
What is the InChIKey of (2,6-dimethyl-3-pyridinyl)-(oxan-4-yl)methanone?
The InChIKey is RMYXNYNPCXEYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-3-4-12(10(2)14-9)13(15)11-5-7-16-8-6-11/h3-4,11H,5-8H2,1-2H3.
What are the key properties of (2,6-dimethyl-3-pyridinyl)-(oxan-4-yl)methanone?
(2,6-dimethyl-3-pyridinyl)-(oxan-4-yl)methanone has a molecular weight of 219.28 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-3-pyridinyl)-(oxan-4-yl)methanone is sourced from PubChem (CID 105099428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).