8-methoxy-2,3,4,4a,6,10b-hexahydro-1H-isochromeno[4,3-b]pyridine

C13H17NO2 — CID 177207224

IUPAC8-methoxy-2,3,4,4a,6,10b-hexahydro-1H-isochromeno[4,3-b]pyridine
SMILESCOc1ccc2c(c1)COC1CCCNC21
InChIInChI=1S/C13H17NO2/c1-15-10-4-5-11-9(7-10)8-16-12-3-2-6-14-13(11)12/h4-5,7,12-14H,2-3,6,8H2,1H3
InChIKeyOBDGIKIVJPGGGH-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.02
Rot. Bonds1

About 8-methoxy-2,3,4,4a,6,10b-hexahydro-1H-isochromeno[4,3-b]pyridine

8-methoxy-2,3,4,4a,6,10b-hexahydro-1H-isochromeno[4,3-b]pyridine (PubChem CID 177207224) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 8-methoxy-2,3,4,4a,6,10b-hexahydro-1H-isochromeno[4,3-b]pyridine.

Molecular Properties

Compound Name8-methoxy-2,3,4,4a,6,10b-hexahydro-1H-isochromeno[4,3-b]pyridine
PubChem CID177207224
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name8-methoxy-2,3,4,4a,6,10b-hexahydro-1H-isochromeno[4,3-b]pyridine
SMILESCOc1ccc2c(c1)COC1CCCNC21
InChIInChI=1S/C13H17NO2/c1-15-10-4-5-11-9(7-10)8-16-12-3-2-6-14-13(11)12/h4-5,7,12-14H,2-3,6,8H2,1H3
InChIKeyOBDGIKIVJPGGGH-UHFFFAOYSA-N
XLogP2.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2,3,4,4a,6,10b-hexahydro-1H-isochromeno[4,3-b]pyridine?
The IUPAC name of 8-methoxy-2,3,4,4a,6,10b-hexahydro-1H-isochromeno[4,3-b]pyridine (CID 177207224) is 8-methoxy-2,3,4,4a,6,10b-hexahydro-1H-isochromeno[4,3-b]pyridine.
What is the SMILES notation for 8-methoxy-2,3,4,4a,6,10b-hexahydro-1H-isochromeno[4,3-b]pyridine?
The canonical SMILES for 8-methoxy-2,3,4,4a,6,10b-hexahydro-1H-isochromeno[4,3-b]pyridine is COc1ccc2c(c1)COC1CCCNC21.
What is the InChIKey of 8-methoxy-2,3,4,4a,6,10b-hexahydro-1H-isochromeno[4,3-b]pyridine?
The InChIKey is OBDGIKIVJPGGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-15-10-4-5-11-9(7-10)8-16-12-3-2-6-14-13(11)12/h4-5,7,12-14H,2-3,6,8H2,1H3.
What are the key properties of 8-methoxy-2,3,4,4a,6,10b-hexahydro-1H-isochromeno[4,3-b]pyridine?
8-methoxy-2,3,4,4a,6,10b-hexahydro-1H-isochromeno[4,3-b]pyridine has a molecular weight of 219.28 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2,3,4,4a,6,10b-hexahydro-1H-isochromeno[4,3-b]pyridine is sourced from PubChem (CID 177207224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).