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

C14H20ClNO2 — CID 70426824

IUPAC(4aR,10bS)-7-methoxy-2-methyl-1,3,4,4a,5,10b-hexahydrochromeno[4,3-c]pyridine;hydrochloride
SMILESCOc1cccc2c1OC[C@@H]1CCN(C)C[C@H]21.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-15-7-6-10-9-17-14-11(12(10)8-15)4-3-5-13(14)16-2;/h3-5,10,12H,6-9H2,1-2H3;1H/t10-,12-;/m0./s1
InChIKeyIASMVYVPDHBNPP-JGAZGGJJSA-N
MW269.77 g/mol
LogP2.54
Rot. Bonds1

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

(4aR,10bS)-7-methoxy-2-methyl-1,3,4,4a,5,10b-hexahydrochromeno[4,3-c]pyridine;hydrochloride (PubChem CID 70426824) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is (4aR,10bS)-7-methoxy-2-methyl-1,3,4,4a,5,10b-hexahydrochromeno[4,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name(4aR,10bS)-7-methoxy-2-methyl-1,3,4,4a,5,10b-hexahydrochromeno[4,3-c]pyridine;hydrochloride
PubChem CID70426824
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name(4aR,10bS)-7-methoxy-2-methyl-1,3,4,4a,5,10b-hexahydrochromeno[4,3-c]pyridine;hydrochloride
SMILESCOc1cccc2c1OC[C@@H]1CCN(C)C[C@H]21.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-15-7-6-10-9-17-14-11(12(10)8-15)4-3-5-13(14)16-2;/h3-5,10,12H,6-9H2,1-2H3;1H/t10-,12-;/m0./s1
InChIKeyIASMVYVPDHBNPP-JGAZGGJJSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4aR,10bS)-7-methoxy-2-methyl-1,3,4,4a,5,10b-hexahydrochromeno[4,3-c]pyridine;hydrochloride?
The IUPAC name of (4aR,10bS)-7-methoxy-2-methyl-1,3,4,4a,5,10b-hexahydrochromeno[4,3-c]pyridine;hydrochloride (CID 70426824) is (4aR,10bS)-7-methoxy-2-methyl-1,3,4,4a,5,10b-hexahydrochromeno[4,3-c]pyridine;hydrochloride.
What is the SMILES notation for (4aR,10bS)-7-methoxy-2-methyl-1,3,4,4a,5,10b-hexahydrochromeno[4,3-c]pyridine;hydrochloride?
The canonical SMILES for (4aR,10bS)-7-methoxy-2-methyl-1,3,4,4a,5,10b-hexahydrochromeno[4,3-c]pyridine;hydrochloride is COc1cccc2c1OC[C@@H]1CCN(C)C[C@H]21.Cl.
What is the InChIKey of (4aR,10bS)-7-methoxy-2-methyl-1,3,4,4a,5,10b-hexahydrochromeno[4,3-c]pyridine;hydrochloride?
The InChIKey is IASMVYVPDHBNPP-JGAZGGJJSA-N. The full InChI is InChI=1S/C14H19NO2.ClH/c1-15-7-6-10-9-17-14-11(12(10)8-15)4-3-5-13(14)16-2;/h3-5,10,12H,6-9H2,1-2H3;1H/t10-,12-;/m0./s1.
What are the key properties of (4aR,10bS)-7-methoxy-2-methyl-1,3,4,4a,5,10b-hexahydrochromeno[4,3-c]pyridine;hydrochloride?
(4aR,10bS)-7-methoxy-2-methyl-1,3,4,4a,5,10b-hexahydrochromeno[4,3-c]pyridine;hydrochloride has a molecular weight of 269.77 g/mol, XLogP of 2.54, 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-2-methyl-1,3,4,4a,5,10b-hexahydrochromeno[4,3-c]pyridine;hydrochloride is sourced from PubChem (CID 70426824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).