4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-10-ol

C13H17NO2 — CID 14151605

IUPAC4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-10-ol
SMILESCN1CCCC2c3c(O)cccc3OCC21
InChIInChI=1S/C13H17NO2/c1-14-7-3-4-9-10(14)8-16-12-6-2-5-11(15)13(9)12/h2,5-6,9-10,15H,3-4,7-8H2,1H3
InChIKeyRODVGPHEUQWVPB-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.96
Rot. Bonds

About 4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-10-ol

4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-10-ol (PubChem CID 14151605) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-10-ol.

Molecular Properties

Compound Name4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-10-ol
PubChem CID14151605
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-10-ol
SMILESCN1CCCC2c3c(O)cccc3OCC21
InChIInChI=1S/C13H17NO2/c1-14-7-3-4-9-10(14)8-16-12-6-2-5-11(15)13(9)12/h2,5-6,9-10,15H,3-4,7-8H2,1H3
InChIKeyRODVGPHEUQWVPB-UHFFFAOYSA-N
XLogP1.96
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-10-ol?
The IUPAC name of 4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-10-ol (CID 14151605) is 4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-10-ol.
What is the SMILES notation for 4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-10-ol?
The canonical SMILES for 4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-10-ol is CN1CCCC2c3c(O)cccc3OCC21.
What is the InChIKey of 4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-10-ol?
The InChIKey is RODVGPHEUQWVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-14-7-3-4-9-10(14)8-16-12-6-2-5-11(15)13(9)12/h2,5-6,9-10,15H,3-4,7-8H2,1H3.
What are the key properties of 4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-10-ol?
4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-10-ol has a molecular weight of 219.28 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-10-ol is sourced from PubChem (CID 14151605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).