6-ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine

C10H19NO — CID 178114907

IUPAC6-ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
SMILESCCN1CCC2OCCCC2C1
InChIInChI=1S/C10H19NO/c1-2-11-6-5-10-9(8-11)4-3-7-12-10/h9-10H,2-8H2,1H3
InChIKeyAHRYFWPILSWLEV-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.51
Rot. Bonds1

About 6-ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine

6-ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine (PubChem CID 178114907) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 6-ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine.

Molecular Properties

Compound Name6-ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
PubChem CID178114907
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name6-ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
SMILESCCN1CCC2OCCCC2C1
InChIInChI=1S/C10H19NO/c1-2-11-6-5-10-9(8-11)4-3-7-12-10/h9-10H,2-8H2,1H3
InChIKeyAHRYFWPILSWLEV-UHFFFAOYSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine?
The IUPAC name of 6-ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine (CID 178114907) is 6-ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine.
What is the SMILES notation for 6-ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine?
The canonical SMILES for 6-ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine is CCN1CCC2OCCCC2C1.
What is the InChIKey of 6-ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine?
The InChIKey is AHRYFWPILSWLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-11-6-5-10-9(8-11)4-3-7-12-10/h9-10H,2-8H2,1H3.
What are the key properties of 6-ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine?
6-ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine has a molecular weight of 169.27 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine is sourced from PubChem (CID 178114907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).