(4aS,8aS)-1,3,4,5,6,7,8,8a-octahydropyrano[3,4-c]pyridin-4a-ol

C8H15NO2 — CID 146049944

IUPAC(4aS,8aS)-1,3,4,5,6,7,8,8a-octahydropyrano[3,4-c]pyridin-4a-ol
SMILESO[C@]12CCNC[C@H]1COCC2
InChIInChI=1S/C8H15NO2/c10-8-1-3-9-5-7(8)6-11-4-2-8/h7,9-10H,1-6H2/t7-,8-/m0/s1
InChIKeyJVHLTDDKTWEDOT-YUMQZZPRSA-N
MW157.21 g/mol
LogP-0.25
Rot. Bonds

About (4aS,8aS)-1,3,4,5,6,7,8,8a-octahydropyrano[3,4-c]pyridin-4a-ol

(4aS,8aS)-1,3,4,5,6,7,8,8a-octahydropyrano[3,4-c]pyridin-4a-ol (PubChem CID 146049944) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (4aS,8aS)-1,3,4,5,6,7,8,8a-octahydropyrano[3,4-c]pyridin-4a-ol.

Molecular Properties

Compound Name(4aS,8aS)-1,3,4,5,6,7,8,8a-octahydropyrano[3,4-c]pyridin-4a-ol
PubChem CID146049944
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(4aS,8aS)-1,3,4,5,6,7,8,8a-octahydropyrano[3,4-c]pyridin-4a-ol
SMILESO[C@]12CCNC[C@H]1COCC2
InChIInChI=1S/C8H15NO2/c10-8-1-3-9-5-7(8)6-11-4-2-8/h7,9-10H,1-6H2/t7-,8-/m0/s1
InChIKeyJVHLTDDKTWEDOT-YUMQZZPRSA-N
XLogP-0.25
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-1,3,4,5,6,7,8,8a-octahydropyrano[3,4-c]pyridin-4a-ol?
The IUPAC name of (4aS,8aS)-1,3,4,5,6,7,8,8a-octahydropyrano[3,4-c]pyridin-4a-ol (CID 146049944) is (4aS,8aS)-1,3,4,5,6,7,8,8a-octahydropyrano[3,4-c]pyridin-4a-ol.
What is the SMILES notation for (4aS,8aS)-1,3,4,5,6,7,8,8a-octahydropyrano[3,4-c]pyridin-4a-ol?
The canonical SMILES for (4aS,8aS)-1,3,4,5,6,7,8,8a-octahydropyrano[3,4-c]pyridin-4a-ol is O[C@]12CCNC[C@H]1COCC2.
What is the InChIKey of (4aS,8aS)-1,3,4,5,6,7,8,8a-octahydropyrano[3,4-c]pyridin-4a-ol?
The InChIKey is JVHLTDDKTWEDOT-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H15NO2/c10-8-1-3-9-5-7(8)6-11-4-2-8/h7,9-10H,1-6H2/t7-,8-/m0/s1.
What are the key properties of (4aS,8aS)-1,3,4,5,6,7,8,8a-octahydropyrano[3,4-c]pyridin-4a-ol?
(4aS,8aS)-1,3,4,5,6,7,8,8a-octahydropyrano[3,4-c]pyridin-4a-ol has a molecular weight of 157.21 g/mol, XLogP of -0.25, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-1,3,4,5,6,7,8,8a-octahydropyrano[3,4-c]pyridin-4a-ol is sourced from PubChem (CID 146049944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).