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

C15H22ClNO2 — CID 14450371

IUPAC(4aS,10bR)-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+;/m0./s1
InChIKeyGFOWBDUDLRUNEO-ZVWHLABXSA-N
MW283.80 g/mol
LogP3.00
Rot. Bonds1

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

(4aS,10bR)-7-methoxy-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride (PubChem CID 14450371) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is (4aS,10bR)-7-methoxy-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride.

Molecular Properties

Compound Name(4aS,10bR)-7-methoxy-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride
PubChem CID14450371
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name(4aS,10bR)-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+;/m0./s1
InChIKeyGFOWBDUDLRUNEO-ZVWHLABXSA-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 (4aS,10bR)-7-methoxy-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride with MolForge

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Related Compounds

(4aR,10bS)-7-methoxy-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride
CID 67937806
(4aS,10bR)-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol
CID 14450375
(4aR,10bS)-10-methoxy-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride
CID 18603865
(4aR,10bS)-7-bromo-10-methoxy-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine
CID 18603889
(4aR,10bS)-10-bromo-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol;hydrochloride
CID 67937791
4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-10-ol
CID 14151605
(4aR,10bR)-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol
CID 14151659
(4aR,10bS)-4-methyl-8-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol
CID 18603900
(3-methoxy-4-methylphenyl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95291169
(2S)-2-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpyrrolidine
CID 143189445
(2R)-2-[[(3S)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl]-1-methylpyrrolidine
CID 178102740
(4aR,10bS)-7-methoxy-2-methyl-1,3,4,4a,5,10b-hexahydrochromeno[4,3-c]pyridine;hydrochloride
CID 70426824

Frequently Asked Questions

What is the IUPAC name of (4aS,10bR)-7-methoxy-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride?
The IUPAC name of (4aS,10bR)-7-methoxy-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride (CID 14450371) is (4aS,10bR)-7-methoxy-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride.
What is the SMILES notation for (4aS,10bR)-7-methoxy-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride?
The canonical SMILES for (4aS,10bR)-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 (4aS,10bR)-7-methoxy-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride?
The InChIKey is GFOWBDUDLRUNEO-ZVWHLABXSA-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+;/m0./s1.
What are the key properties of (4aS,10bR)-7-methoxy-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride?
(4aS,10bR)-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 (4aS,10bR)-7-methoxy-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride is sourced from PubChem (CID 14450371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).