(4aR,10bR)-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol

C13H17NO2 — CID 14151659

IUPAC(4aR,10bR)-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol
SMILESCN1CCC[C@@H]2c3cccc(O)c3OC[C@@H]21
InChIInChI=1S/C13H17NO2/c1-14-7-3-5-9-10-4-2-6-12(15)13(10)16-8-11(9)14/h2,4,6,9,11,15H,3,5,7-8H2,1H3/t9-,11+/m1/s1
InChIKeyCXGQRIUDJGHMQS-KOLCDFICSA-N
MW219.28 g/mol
LogP1.96
Rot. Bonds

About (4aR,10bR)-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol

(4aR,10bR)-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol (PubChem CID 14151659) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (4aR,10bR)-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol.

Molecular Properties

Compound Name(4aR,10bR)-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol
PubChem CID14151659
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(4aR,10bR)-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol
SMILESCN1CCC[C@@H]2c3cccc(O)c3OC[C@@H]21
InChIInChI=1S/C13H17NO2/c1-14-7-3-5-9-10-4-2-6-12(15)13(10)16-8-11(9)14/h2,4,6,9,11,15H,3,5,7-8H2,1H3/t9-,11+/m1/s1
InChIKeyCXGQRIUDJGHMQS-KOLCDFICSA-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

Analyze (4aR,10bR)-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[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,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol
CID 18611368
(4aR,10bS)-4-methyl-8-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol
CID 18603900
(4aS,10bR)-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol
CID 14450375
4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-10-ol
CID 14151605
(4aR,10bS)-10-bromo-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol;hydrochloride
CID 67937791
(10bS)-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-7,8-diol
CID 123982998
(4aS,10bR)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-b]pyridin-7-ol
CID 14151587
(4aS,10bR)-4-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-7,8-diol;hydrobromide
CID 66634113
(4aR,10bS)-10-methoxy-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride
CID 18603865
(4aS,10bR)-7-methoxy-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride
CID 14450371
(4aR,10bS)-7-methoxy-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride
CID 67937806
[(4aS,10bR)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-yl] benzoate
CID 14151636

Frequently Asked Questions

What is the IUPAC name of (4aR,10bR)-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol?
The IUPAC name of (4aR,10bR)-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol (CID 14151659) is (4aR,10bR)-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol.
What is the SMILES notation for (4aR,10bR)-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol?
The canonical SMILES for (4aR,10bR)-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol is CN1CCC[C@@H]2c3cccc(O)c3OC[C@@H]21.
What is the InChIKey of (4aR,10bR)-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol?
The InChIKey is CXGQRIUDJGHMQS-KOLCDFICSA-N. The full InChI is InChI=1S/C13H17NO2/c1-14-7-3-5-9-10-4-2-6-12(15)13(10)16-8-11(9)14/h2,4,6,9,11,15H,3,5,7-8H2,1H3/t9-,11+/m1/s1.
What are the key properties of (4aR,10bR)-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol?
(4aR,10bR)-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-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 (4aR,10bR)-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol is sourced from PubChem (CID 14151659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).