6-cyclohexyl-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-8-one

C14H19NO2 — CID 141123603

IUPAC6-cyclohexyl-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-8-one
SMILESO=c1[nH]c(C2CCCCC2)cc2c1COCC2
InChIInChI=1S/C14H19NO2/c16-14-12-9-17-7-6-11(12)8-13(15-14)10-4-2-1-3-5-10/h8,10H,1-7,9H2,(H,15,16)
InChIKeyWVGDCYLOCLAYHW-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.50
Rot. Bonds1

About 6-cyclohexyl-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-8-one

6-cyclohexyl-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-8-one (PubChem CID 141123603) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 6-cyclohexyl-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-8-one.

Molecular Properties

Compound Name6-cyclohexyl-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-8-one
PubChem CID141123603
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name6-cyclohexyl-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-8-one
SMILESO=c1[nH]c(C2CCCCC2)cc2c1COCC2
InChIInChI=1S/C14H19NO2/c16-14-12-9-17-7-6-11(12)8-13(15-14)10-4-2-1-3-5-10/h8,10H,1-7,9H2,(H,15,16)
InChIKeyWVGDCYLOCLAYHW-UHFFFAOYSA-N
XLogP2.50
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-cyclohexyl-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-8-one?
The IUPAC name of 6-cyclohexyl-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-8-one (CID 141123603) is 6-cyclohexyl-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-8-one.
What is the SMILES notation for 6-cyclohexyl-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-8-one?
The canonical SMILES for 6-cyclohexyl-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-8-one is O=c1[nH]c(C2CCCCC2)cc2c1COCC2.
What is the InChIKey of 6-cyclohexyl-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-8-one?
The InChIKey is WVGDCYLOCLAYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c16-14-12-9-17-7-6-11(12)8-13(15-14)10-4-2-1-3-5-10/h8,10H,1-7,9H2,(H,15,16).
What are the key properties of 6-cyclohexyl-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-8-one?
6-cyclohexyl-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-8-one has a molecular weight of 233.31 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-8-one is sourced from PubChem (CID 141123603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).