7-methoxy-3,4,4a,5-tetrahydro-2H-chromeno[3,4-b]pyridine;hydrochloride

C13H16ClNO2 — CID 14450347

IUPAC7-methoxy-3,4,4a,5-tetrahydro-2H-chromeno[3,4-b]pyridine;hydrochloride
SMILESCOc1cccc2c1OCC1NCCC=C21.Cl
InChIInChI=1S/C13H15NO2.ClH/c1-15-12-6-2-4-10-9-5-3-7-14-11(9)8-16-13(10)12;/h2,4-6,11,14H,3,7-8H2,1H3;1H
InChIKeyWLORISMINQWNAH-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.25
Rot. Bonds1

About 7-methoxy-3,4,4a,5-tetrahydro-2H-chromeno[3,4-b]pyridine;hydrochloride

7-methoxy-3,4,4a,5-tetrahydro-2H-chromeno[3,4-b]pyridine;hydrochloride (PubChem CID 14450347) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 7-methoxy-3,4,4a,5-tetrahydro-2H-chromeno[3,4-b]pyridine;hydrochloride.

Molecular Properties

Compound Name7-methoxy-3,4,4a,5-tetrahydro-2H-chromeno[3,4-b]pyridine;hydrochloride
PubChem CID14450347
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name7-methoxy-3,4,4a,5-tetrahydro-2H-chromeno[3,4-b]pyridine;hydrochloride
SMILESCOc1cccc2c1OCC1NCCC=C21.Cl
InChIInChI=1S/C13H15NO2.ClH/c1-15-12-6-2-4-10-9-5-3-7-14-11(9)8-16-13(10)12;/h2,4-6,11,14H,3,7-8H2,1H3;1H
InChIKeyWLORISMINQWNAH-UHFFFAOYSA-N
XLogP2.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3,4,4a,5-tetrahydro-2H-chromeno[3,4-b]pyridine;hydrochloride?
The IUPAC name of 7-methoxy-3,4,4a,5-tetrahydro-2H-chromeno[3,4-b]pyridine;hydrochloride (CID 14450347) is 7-methoxy-3,4,4a,5-tetrahydro-2H-chromeno[3,4-b]pyridine;hydrochloride.
What is the SMILES notation for 7-methoxy-3,4,4a,5-tetrahydro-2H-chromeno[3,4-b]pyridine;hydrochloride?
The canonical SMILES for 7-methoxy-3,4,4a,5-tetrahydro-2H-chromeno[3,4-b]pyridine;hydrochloride is COc1cccc2c1OCC1NCCC=C21.Cl.
What is the InChIKey of 7-methoxy-3,4,4a,5-tetrahydro-2H-chromeno[3,4-b]pyridine;hydrochloride?
The InChIKey is WLORISMINQWNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2.ClH/c1-15-12-6-2-4-10-9-5-3-7-14-11(9)8-16-13(10)12;/h2,4-6,11,14H,3,7-8H2,1H3;1H.
What are the key properties of 7-methoxy-3,4,4a,5-tetrahydro-2H-chromeno[3,4-b]pyridine;hydrochloride?
7-methoxy-3,4,4a,5-tetrahydro-2H-chromeno[3,4-b]pyridine;hydrochloride has a molecular weight of 253.73 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3,4,4a,5-tetrahydro-2H-chromeno[3,4-b]pyridine;hydrochloride is sourced from PubChem (CID 14450347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).