6-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-ol

C9H17NO2 — CID 82412063

IUPAC6-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-ol
SMILESCN1CCC2OCCC(O)C2C1
InChIInChI=1S/C9H17NO2/c1-10-4-2-9-7(6-10)8(11)3-5-12-9/h7-9,11H,2-6H2,1H3
InChIKeyWPAJAWZUTRHFMD-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.09
Rot. Bonds

About 6-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-ol

6-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-ol (PubChem CID 82412063) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 6-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-ol.

Molecular Properties

Compound Name6-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-ol
PubChem CID82412063
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name6-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-ol
SMILESCN1CCC2OCCC(O)C2C1
InChIInChI=1S/C9H17NO2/c1-10-4-2-9-7(6-10)8(11)3-5-12-9/h7-9,11H,2-6H2,1H3
InChIKeyWPAJAWZUTRHFMD-UHFFFAOYSA-N
XLogP0.09
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-ol?
The IUPAC name of 6-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-ol (CID 82412063) is 6-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-ol.
What is the SMILES notation for 6-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-ol?
The canonical SMILES for 6-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-ol is CN1CCC2OCCC(O)C2C1.
What is the InChIKey of 6-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-ol?
The InChIKey is WPAJAWZUTRHFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-10-4-2-9-7(6-10)8(11)3-5-12-9/h7-9,11H,2-6H2,1H3.
What are the key properties of 6-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-ol?
6-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-ol has a molecular weight of 171.24 g/mol, XLogP of 0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-ol is sourced from PubChem (CID 82412063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).