(4aS,10bR)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-b]pyridin-7-ol

C12H15NO2 — CID 14151587

IUPAC(4aS,10bR)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-b]pyridin-7-ol
SMILESOc1cccc2c1OC[C@H]1NCCC[C@H]21
InChIInChI=1S/C12H15NO2/c14-11-5-1-3-9-8-4-2-6-13-10(8)7-15-12(9)11/h1,3,5,8,10,13-14H,2,4,6-7H2/t8-,10-/m1/s1
InChIKeyPLTDSSAAMMFFRR-PSASIEDQSA-N
MW205.26 g/mol
LogP1.62
Rot. Bonds

About (4aS,10bR)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-b]pyridin-7-ol

(4aS,10bR)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-b]pyridin-7-ol (PubChem CID 14151587) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (4aS,10bR)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-b]pyridin-7-ol.

Molecular Properties

Compound Name(4aS,10bR)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-b]pyridin-7-ol
PubChem CID14151587
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(4aS,10bR)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-b]pyridin-7-ol
SMILESOc1cccc2c1OC[C@H]1NCCC[C@H]21
InChIInChI=1S/C12H15NO2/c14-11-5-1-3-9-8-4-2-6-13-10(8)7-15-12(9)11/h1,3,5,8,10,13-14H,2,4,6-7H2/t8-,10-/m1/s1
InChIKeyPLTDSSAAMMFFRR-PSASIEDQSA-N
XLogP1.62
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4aS,10bR)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-b]pyridin-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4aR,10bR)-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol
CID 14151659
(4aS,10bR)-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline-7,8-diol
CID 66629451
(4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol
CID 18611368
2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine
CID 13350945
3-(methylamino)-2,3-dihydro-1-benzofuran-7-ol
CID 112546911
(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidine
CID 125041313
(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-5-carbaldehyde
CID 88506814
2-(8-chloro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine
CID 105499907
CID 67851799
CID 67851799
(6aR,10aR)-5-ethenyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline
CID 57138620
(6aR,10aR)-4-fluoro-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinoline
CID 67754280
3-[(2R)-piperidin-2-yl]benzene-1,2-diol
CID 130665742

Frequently Asked Questions

What is the IUPAC name of (4aS,10bR)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-b]pyridin-7-ol?
The IUPAC name of (4aS,10bR)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-b]pyridin-7-ol (CID 14151587) is (4aS,10bR)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-b]pyridin-7-ol.
What is the SMILES notation for (4aS,10bR)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-b]pyridin-7-ol?
The canonical SMILES for (4aS,10bR)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-b]pyridin-7-ol is Oc1cccc2c1OC[C@H]1NCCC[C@H]21.
What is the InChIKey of (4aS,10bR)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-b]pyridin-7-ol?
The InChIKey is PLTDSSAAMMFFRR-PSASIEDQSA-N. The full InChI is InChI=1S/C12H15NO2/c14-11-5-1-3-9-8-4-2-6-13-10(8)7-15-12(9)11/h1,3,5,8,10,13-14H,2,4,6-7H2/t8-,10-/m1/s1.
What are the key properties of (4aS,10bR)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-b]pyridin-7-ol?
(4aS,10bR)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-b]pyridin-7-ol has a molecular weight of 205.26 g/mol, XLogP of 1.62, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,10bR)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-b]pyridin-7-ol is sourced from PubChem (CID 14151587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).