7-(2-cyclohexylethynyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one

C16H17NO2 — CID 53317121

IUPAC7-(2-cyclohexylethynyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one
SMILESO=C1CCOc2nc(C#CC3CCCCC3)ccc21
InChIInChI=1S/C16H17NO2/c18-15-10-11-19-16-14(15)9-8-13(17-16)7-6-12-4-2-1-3-5-12/h8-9,12H,1-5,10-11H2
InChIKeyUIKBGXQYPASMTB-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.98
Rot. Bonds

About 7-(2-cyclohexylethynyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one

7-(2-cyclohexylethynyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one (PubChem CID 53317121) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 7-(2-cyclohexylethynyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name7-(2-cyclohexylethynyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one
PubChem CID53317121
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name7-(2-cyclohexylethynyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one
SMILESO=C1CCOc2nc(C#CC3CCCCC3)ccc21
InChIInChI=1S/C16H17NO2/c18-15-10-11-19-16-14(15)9-8-13(17-16)7-6-12-4-2-1-3-5-12/h8-9,12H,1-5,10-11H2
InChIKeyUIKBGXQYPASMTB-UHFFFAOYSA-N
XLogP2.98
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2-cyclohexylethynyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one?
The IUPAC name of 7-(2-cyclohexylethynyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one (CID 53317121) is 7-(2-cyclohexylethynyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one.
What is the SMILES notation for 7-(2-cyclohexylethynyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one?
The canonical SMILES for 7-(2-cyclohexylethynyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one is O=C1CCOc2nc(C#CC3CCCCC3)ccc21.
What is the InChIKey of 7-(2-cyclohexylethynyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one?
The InChIKey is UIKBGXQYPASMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c18-15-10-11-19-16-14(15)9-8-13(17-16)7-6-12-4-2-1-3-5-12/h8-9,12H,1-5,10-11H2.
What are the key properties of 7-(2-cyclohexylethynyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one?
7-(2-cyclohexylethynyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one has a molecular weight of 255.32 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-cyclohexylethynyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one is sourced from PubChem (CID 53317121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).