9-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[4,3-b]pyridine

C13H17NO2 — CID 83888852

IUPAC9-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[4,3-b]pyridine
SMILESCOc1ccc2c(c1)C1NCCCC1CO2
InChIInChI=1S/C13H17NO2/c1-15-10-4-5-12-11(7-10)13-9(8-16-12)3-2-6-14-13/h4-5,7,9,13-14H,2-3,6,8H2,1H3
InChIKeyJBOWGTHEFCOGNT-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.13
Rot. Bonds1

About 9-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[4,3-b]pyridine

9-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[4,3-b]pyridine (PubChem CID 83888852) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 9-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[4,3-b]pyridine.

Molecular Properties

Compound Name9-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[4,3-b]pyridine
PubChem CID83888852
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name9-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[4,3-b]pyridine
SMILESCOc1ccc2c(c1)C1NCCCC1CO2
InChIInChI=1S/C13H17NO2/c1-15-10-4-5-12-11(7-10)13-9(8-16-12)3-2-6-14-13/h4-5,7,9,13-14H,2-3,6,8H2,1H3
InChIKeyJBOWGTHEFCOGNT-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
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 9-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[4,3-b]pyridine?
The IUPAC name of 9-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[4,3-b]pyridine (CID 83888852) is 9-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[4,3-b]pyridine.
What is the SMILES notation for 9-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[4,3-b]pyridine?
The canonical SMILES for 9-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[4,3-b]pyridine is COc1ccc2c(c1)C1NCCCC1CO2.
What is the InChIKey of 9-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[4,3-b]pyridine?
The InChIKey is JBOWGTHEFCOGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-15-10-4-5-12-11(7-10)13-9(8-16-12)3-2-6-14-13/h4-5,7,9,13-14H,2-3,6,8H2,1H3.
What are the key properties of 9-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[4,3-b]pyridine?
9-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[4,3-b]pyridine has a molecular weight of 219.28 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[4,3-b]pyridine is sourced from PubChem (CID 83888852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).