3-methyl-2-[(6-methyl-2-pyridinyl)oxy]cyclohex-2-en-1-one

C13H15NO2 — CID 102371288

IUPAC3-methyl-2-[(6-methyl-2-pyridinyl)oxy]cyclohex-2-en-1-one
SMILESCC1=C(Oc2cccc(C)n2)C(=O)CCC1
InChIInChI=1S/C13H15NO2/c1-9-5-3-7-11(15)13(9)16-12-8-4-6-10(2)14-12/h4,6,8H,3,5,7H2,1-2H3
InChIKeyGUWAKLZJAILBDU-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.80
Rot. Bonds2

About 3-methyl-2-[(6-methyl-2-pyridinyl)oxy]cyclohex-2-en-1-one

3-methyl-2-[(6-methyl-2-pyridinyl)oxy]cyclohex-2-en-1-one (PubChem CID 102371288) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-methyl-2-[(6-methyl-2-pyridinyl)oxy]cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-methyl-2-[(6-methyl-2-pyridinyl)oxy]cyclohex-2-en-1-one
PubChem CID102371288
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-methyl-2-[(6-methyl-2-pyridinyl)oxy]cyclohex-2-en-1-one
SMILESCC1=C(Oc2cccc(C)n2)C(=O)CCC1
InChIInChI=1S/C13H15NO2/c1-9-5-3-7-11(15)13(9)16-12-8-4-6-10(2)14-12/h4,6,8H,3,5,7H2,1-2H3
InChIKeyGUWAKLZJAILBDU-UHFFFAOYSA-N
XLogP2.80
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(6-methyl-2-pyridinyl)oxy]cyclohex-2-en-1-one?
The IUPAC name of 3-methyl-2-[(6-methyl-2-pyridinyl)oxy]cyclohex-2-en-1-one (CID 102371288) is 3-methyl-2-[(6-methyl-2-pyridinyl)oxy]cyclohex-2-en-1-one.
What is the SMILES notation for 3-methyl-2-[(6-methyl-2-pyridinyl)oxy]cyclohex-2-en-1-one?
The canonical SMILES for 3-methyl-2-[(6-methyl-2-pyridinyl)oxy]cyclohex-2-en-1-one is CC1=C(Oc2cccc(C)n2)C(=O)CCC1.
What is the InChIKey of 3-methyl-2-[(6-methyl-2-pyridinyl)oxy]cyclohex-2-en-1-one?
The InChIKey is GUWAKLZJAILBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9-5-3-7-11(15)13(9)16-12-8-4-6-10(2)14-12/h4,6,8H,3,5,7H2,1-2H3.
What are the key properties of 3-methyl-2-[(6-methyl-2-pyridinyl)oxy]cyclohex-2-en-1-one?
3-methyl-2-[(6-methyl-2-pyridinyl)oxy]cyclohex-2-en-1-one has a molecular weight of 217.27 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(6-methyl-2-pyridinyl)oxy]cyclohex-2-en-1-one is sourced from PubChem (CID 102371288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).