(4aR,10bS)-7-methoxy-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride

C15H22ClNO2 — CID 67937806

IUPAC(4aR,10bS)-7-methoxy-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride
SMILESCOc1ccc(C)c2c1OC[C@H]1[C@H]2CCCN1C.Cl
InChIInChI=1S/C15H21NO2.ClH/c1-10-6-7-13(17-3)15-14(10)11-5-4-8-16(2)12(11)9-18-15;/h6-7,11-12H,4-5,8-9H2,1-3H3;1H/t11-,12+;/m1./s1
InChIKeyGFOWBDUDLRUNEO-LYCTWNKOSA-N
MW283.80 g/mol
LogP3.00
Rot. Bonds1

About (4aR,10bS)-7-methoxy-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride

(4aR,10bS)-7-methoxy-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride (PubChem CID 67937806) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is (4aR,10bS)-7-methoxy-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride.

Molecular Properties

Compound Name(4aR,10bS)-7-methoxy-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride
PubChem CID67937806
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name(4aR,10bS)-7-methoxy-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride
SMILESCOc1ccc(C)c2c1OC[C@H]1[C@H]2CCCN1C.Cl
InChIInChI=1S/C15H21NO2.ClH/c1-10-6-7-13(17-3)15-14(10)11-5-4-8-16(2)12(11)9-18-15;/h6-7,11-12H,4-5,8-9H2,1-3H3;1H/t11-,12+;/m1./s1
InChIKeyGFOWBDUDLRUNEO-LYCTWNKOSA-N
XLogP3.00
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4aR,10bS)-7-methoxy-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;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)-7-methoxy-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride?
The IUPAC name of (4aR,10bS)-7-methoxy-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride (CID 67937806) is (4aR,10bS)-7-methoxy-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride.
What is the SMILES notation for (4aR,10bS)-7-methoxy-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride?
The canonical SMILES for (4aR,10bS)-7-methoxy-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride is COc1ccc(C)c2c1OC[C@H]1[C@H]2CCCN1C.Cl.
What is the InChIKey of (4aR,10bS)-7-methoxy-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride?
The InChIKey is GFOWBDUDLRUNEO-LYCTWNKOSA-N. The full InChI is InChI=1S/C15H21NO2.ClH/c1-10-6-7-13(17-3)15-14(10)11-5-4-8-16(2)12(11)9-18-15;/h6-7,11-12H,4-5,8-9H2,1-3H3;1H/t11-,12+;/m1./s1.
What are the key properties of (4aR,10bS)-7-methoxy-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride?
(4aR,10bS)-7-methoxy-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride has a molecular weight of 283.80 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,10bS)-7-methoxy-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride is sourced from PubChem (CID 67937806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).