(4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-9-ol;hydrochloride

C15H22ClNO2 — CID 18603840

IUPAC(4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-9-ol;hydrochloride
SMILESCCCN1CCC[C@H]2c3cc(O)ccc3OC[C@@H]21.Cl
InChIInChI=1S/C15H21NO2.ClH/c1-2-7-16-8-3-4-12-13-9-11(17)5-6-15(13)18-10-14(12)16;/h5-6,9,12,14,17H,2-4,7-8,10H2,1H3;1H/t12-,14-;/m0./s1
InChIKeyJFSZKRWNAVLJHH-KYSPHBLOSA-N
MW283.80 g/mol
LogP3.16
Rot. Bonds2

About (4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-9-ol;hydrochloride

(4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-9-ol;hydrochloride (PubChem CID 18603840) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is (4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-9-ol;hydrochloride.

Molecular Properties

Compound Name(4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-9-ol;hydrochloride
PubChem CID18603840
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name(4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-9-ol;hydrochloride
SMILESCCCN1CCC[C@H]2c3cc(O)ccc3OC[C@@H]21.Cl
InChIInChI=1S/C15H21NO2.ClH/c1-2-7-16-8-3-4-12-13-9-11(17)5-6-15(13)18-10-14(12)16;/h5-6,9,12,14,17H,2-4,7-8,10H2,1H3;1H/t12-,14-;/m0./s1
InChIKeyJFSZKRWNAVLJHH-KYSPHBLOSA-N
XLogP3.16
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-9-ol;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-9-ol;hydrochloride?
The IUPAC name of (4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-9-ol;hydrochloride (CID 18603840) is (4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-9-ol;hydrochloride.
What is the SMILES notation for (4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-9-ol;hydrochloride?
The canonical SMILES for (4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-9-ol;hydrochloride is CCCN1CCC[C@H]2c3cc(O)ccc3OC[C@@H]21.Cl.
What is the InChIKey of (4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-9-ol;hydrochloride?
The InChIKey is JFSZKRWNAVLJHH-KYSPHBLOSA-N. The full InChI is InChI=1S/C15H21NO2.ClH/c1-2-7-16-8-3-4-12-13-9-11(17)5-6-15(13)18-10-14(12)16;/h5-6,9,12,14,17H,2-4,7-8,10H2,1H3;1H/t12-,14-;/m0./s1.
What are the key properties of (4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-9-ol;hydrochloride?
(4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-9-ol;hydrochloride has a molecular weight of 283.80 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-9-ol;hydrochloride is sourced from PubChem (CID 18603840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).