6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-[1,4]dioxino[2,3-c]pyridine

C9H17NO2 — CID 118641587

IUPAC6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-[1,4]dioxino[2,3-c]pyridine
SMILESCCN1CCC2OCCOC2C1
InChIInChI=1S/C9H17NO2/c1-2-10-4-3-8-9(7-10)12-6-5-11-8/h8-9H,2-7H2,1H3
InChIKeyGNLSSNSGWUFFLT-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.50
Rot. Bonds1

About 6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-[1,4]dioxino[2,3-c]pyridine

6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-[1,4]dioxino[2,3-c]pyridine (PubChem CID 118641587) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-[1,4]dioxino[2,3-c]pyridine.

Molecular Properties

Compound Name6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-[1,4]dioxino[2,3-c]pyridine
PubChem CID118641587
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-[1,4]dioxino[2,3-c]pyridine
SMILESCCN1CCC2OCCOC2C1
InChIInChI=1S/C9H17NO2/c1-2-10-4-3-8-9(7-10)12-6-5-11-8/h8-9H,2-7H2,1H3
InChIKeyGNLSSNSGWUFFLT-UHFFFAOYSA-N
XLogP0.50
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-[1,4]dioxino[2,3-c]pyridine?
The IUPAC name of 6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-[1,4]dioxino[2,3-c]pyridine (CID 118641587) is 6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-[1,4]dioxino[2,3-c]pyridine.
What is the SMILES notation for 6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-[1,4]dioxino[2,3-c]pyridine?
The canonical SMILES for 6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-[1,4]dioxino[2,3-c]pyridine is CCN1CCC2OCCOC2C1.
What is the InChIKey of 6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-[1,4]dioxino[2,3-c]pyridine?
The InChIKey is GNLSSNSGWUFFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-10-4-3-8-9(7-10)12-6-5-11-8/h8-9H,2-7H2,1H3.
What are the key properties of 6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-[1,4]dioxino[2,3-c]pyridine?
6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-[1,4]dioxino[2,3-c]pyridine has a molecular weight of 171.24 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-[1,4]dioxino[2,3-c]pyridine is sourced from PubChem (CID 118641587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).