1-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridine

C11H21NO — CID 58110251

IUPAC1-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridine
SMILESCC(C)N1CCCC2COCCC21
InChIInChI=1S/C11H21NO/c1-9(2)12-6-3-4-10-8-13-7-5-11(10)12/h9-11H,3-8H2,1-2H3
InChIKeyCWBVYAIJYSUJBI-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.90
Rot. Bonds1

About 1-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridine

1-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridine (PubChem CID 58110251) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridine.

Molecular Properties

Compound Name1-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridine
PubChem CID58110251
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name1-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridine
SMILESCC(C)N1CCCC2COCCC21
InChIInChI=1S/C11H21NO/c1-9(2)12-6-3-4-10-8-13-7-5-11(10)12/h9-11H,3-8H2,1-2H3
InChIKeyCWBVYAIJYSUJBI-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridine?
The IUPAC name of 1-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridine (CID 58110251) is 1-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridine.
What is the SMILES notation for 1-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridine?
The canonical SMILES for 1-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridine is CC(C)N1CCCC2COCCC21.
What is the InChIKey of 1-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridine?
The InChIKey is CWBVYAIJYSUJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)12-6-3-4-10-8-13-7-5-11(10)12/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridine?
1-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridine has a molecular weight of 183.30 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridine is sourced from PubChem (CID 58110251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).