5,6,7,8-tetrahydro-3H-pyrano[4,3-c]pyridine

C8H11NO — CID 123514732

IUPAC5,6,7,8-tetrahydro-3H-pyrano[4,3-c]pyridine
SMILESC1=C2CCNCC2=CCO1
InChIInChI=1S/C8H11NO/c1-3-9-5-7-2-4-10-6-8(1)7/h2,6,9H,1,3-5H2
InChIKeyYYSXFXHLCLYAIL-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.82
Rot. Bonds

About 5,6,7,8-tetrahydro-3H-pyrano[4,3-c]pyridine

5,6,7,8-tetrahydro-3H-pyrano[4,3-c]pyridine (PubChem CID 123514732) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-3H-pyrano[4,3-c]pyridine.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-3H-pyrano[4,3-c]pyridine
PubChem CID123514732
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name5,6,7,8-tetrahydro-3H-pyrano[4,3-c]pyridine
SMILESC1=C2CCNCC2=CCO1
InChIInChI=1S/C8H11NO/c1-3-9-5-7-2-4-10-6-8(1)7/h2,6,9H,1,3-5H2
InChIKeyYYSXFXHLCLYAIL-UHFFFAOYSA-N
XLogP0.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-3H-pyrano[4,3-c]pyridine?
The IUPAC name of 5,6,7,8-tetrahydro-3H-pyrano[4,3-c]pyridine (CID 123514732) is 5,6,7,8-tetrahydro-3H-pyrano[4,3-c]pyridine.
What is the SMILES notation for 5,6,7,8-tetrahydro-3H-pyrano[4,3-c]pyridine?
The canonical SMILES for 5,6,7,8-tetrahydro-3H-pyrano[4,3-c]pyridine is C1=C2CCNCC2=CCO1.
What is the InChIKey of 5,6,7,8-tetrahydro-3H-pyrano[4,3-c]pyridine?
The InChIKey is YYSXFXHLCLYAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-3-9-5-7-2-4-10-6-8(1)7/h2,6,9H,1,3-5H2.
What are the key properties of 5,6,7,8-tetrahydro-3H-pyrano[4,3-c]pyridine?
5,6,7,8-tetrahydro-3H-pyrano[4,3-c]pyridine has a molecular weight of 137.18 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-3H-pyrano[4,3-c]pyridine is sourced from PubChem (CID 123514732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).