(4aR,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydropyrano[2,3-b]pyridine

C10H19NO — CID 177422774

IUPAC(4aR,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydropyrano[2,3-b]pyridine
SMILESCC[C@]12CCCN[C@H]1OCCC2
InChIInChI=1S/C10H19NO/c1-2-10-5-3-7-11-9(10)12-8-4-6-10/h9,11H,2-8H2,1H3/t9-,10+/m0/s1
InChIKeyGDJPEISVBBGXEB-VHSXEESVSA-N
MW169.27 g/mol
LogP1.90
Rot. Bonds1

About (4aR,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydropyrano[2,3-b]pyridine

(4aR,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydropyrano[2,3-b]pyridine (PubChem CID 177422774) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (4aR,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydropyrano[2,3-b]pyridine.

Molecular Properties

Compound Name(4aR,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydropyrano[2,3-b]pyridine
PubChem CID177422774
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(4aR,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydropyrano[2,3-b]pyridine
SMILESCC[C@]12CCCN[C@H]1OCCC2
InChIInChI=1S/C10H19NO/c1-2-10-5-3-7-11-9(10)12-8-4-6-10/h9,11H,2-8H2,1H3/t9-,10+/m0/s1
InChIKeyGDJPEISVBBGXEB-VHSXEESVSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aR,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydropyrano[2,3-b]pyridine with MolForge

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Related Compounds

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2-(1-ethylcyclohexyl)oxirane
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2-(2-methylpropyl)-1,3-oxazinane
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2-ethyl-2-(oxan-2-ylmethyl)pyrrolidine
CID 117271043
2-ethyl-2-(oxolan-2-yl)piperidine
CID 117271216
4a-(2-methylpropyl)-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 165153694
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CID 83074640
4-(1-ethylcyclobutyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
CID 165470197

Frequently Asked Questions

What is the IUPAC name of (4aR,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydropyrano[2,3-b]pyridine?
The IUPAC name of (4aR,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydropyrano[2,3-b]pyridine (CID 177422774) is (4aR,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydropyrano[2,3-b]pyridine.
What is the SMILES notation for (4aR,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydropyrano[2,3-b]pyridine?
The canonical SMILES for (4aR,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydropyrano[2,3-b]pyridine is CC[C@]12CCCN[C@H]1OCCC2.
What is the InChIKey of (4aR,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydropyrano[2,3-b]pyridine?
The InChIKey is GDJPEISVBBGXEB-VHSXEESVSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-10-5-3-7-11-9(10)12-8-4-6-10/h9,11H,2-8H2,1H3/t9-,10+/m0/s1.
What are the key properties of (4aR,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydropyrano[2,3-b]pyridine?
(4aR,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydropyrano[2,3-b]pyridine has a molecular weight of 169.27 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydropyrano[2,3-b]pyridine is sourced from PubChem (CID 177422774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).