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

C14H20ClNO2 — CID 18603865

IUPAC(4aR,10bS)-10-methoxy-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride
SMILESCOc1cccc2c1[C@@H]1CCCN(C)[C@H]1CO2.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-15-8-4-5-10-11(15)9-17-13-7-3-6-12(16-2)14(10)13;/h3,6-7,10-11H,4-5,8-9H2,1-2H3;1H/t10-,11+;/m1./s1
InChIKeyPJCJWWZRPVDQDY-DHXVBOOMSA-N
MW269.77 g/mol
LogP2.69
Rot. Bonds1

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

(4aR,10bS)-10-methoxy-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride (PubChem CID 18603865) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is (4aR,10bS)-10-methoxy-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride.

Molecular Properties

Compound Name(4aR,10bS)-10-methoxy-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride
PubChem CID18603865
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name(4aR,10bS)-10-methoxy-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride
SMILESCOc1cccc2c1[C@@H]1CCCN(C)[C@H]1CO2.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-15-8-4-5-10-11(15)9-17-13-7-3-6-12(16-2)14(10)13;/h3,6-7,10-11H,4-5,8-9H2,1-2H3;1H/t10-,11+;/m1./s1
InChIKeyPJCJWWZRPVDQDY-DHXVBOOMSA-N
XLogP2.69
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4aR,10bS)-10-methoxy-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride?
The IUPAC name of (4aR,10bS)-10-methoxy-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride (CID 18603865) is (4aR,10bS)-10-methoxy-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride.
What is the SMILES notation for (4aR,10bS)-10-methoxy-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride?
The canonical SMILES for (4aR,10bS)-10-methoxy-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride is COc1cccc2c1[C@@H]1CCCN(C)[C@H]1CO2.Cl.
What is the InChIKey of (4aR,10bS)-10-methoxy-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride?
The InChIKey is PJCJWWZRPVDQDY-DHXVBOOMSA-N. The full InChI is InChI=1S/C14H19NO2.ClH/c1-15-8-4-5-10-11(15)9-17-13-7-3-6-12(16-2)14(10)13;/h3,6-7,10-11H,4-5,8-9H2,1-2H3;1H/t10-,11+;/m1./s1.
What are the key properties of (4aR,10bS)-10-methoxy-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride?
(4aR,10bS)-10-methoxy-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride has a molecular weight of 269.77 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,10bS)-10-methoxy-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride is sourced from PubChem (CID 18603865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).