3,5,6,7,8,8a-hexahydro-1H-pyrano[4,3-c]pyridine

C8H13NO — CID 166785270

IUPAC3,5,6,7,8,8a-hexahydro-1H-pyrano[4,3-c]pyridine
SMILESC1=C2CNCCC2COC1
InChIInChI=1S/C8H13NO/c1-3-9-5-7-2-4-10-6-8(1)7/h2,8-9H,1,3-6H2
InChIKeyXXSZROCXOABMBL-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.55
Rot. Bonds

About 3,5,6,7,8,8a-hexahydro-1H-pyrano[4,3-c]pyridine

3,5,6,7,8,8a-hexahydro-1H-pyrano[4,3-c]pyridine (PubChem CID 166785270) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3,5,6,7,8,8a-hexahydro-1H-pyrano[4,3-c]pyridine.

Molecular Properties

Compound Name3,5,6,7,8,8a-hexahydro-1H-pyrano[4,3-c]pyridine
PubChem CID166785270
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3,5,6,7,8,8a-hexahydro-1H-pyrano[4,3-c]pyridine
SMILESC1=C2CNCCC2COC1
InChIInChI=1S/C8H13NO/c1-3-9-5-7-2-4-10-6-8(1)7/h2,8-9H,1,3-6H2
InChIKeyXXSZROCXOABMBL-UHFFFAOYSA-N
XLogP0.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5,6,7,8,8a-hexahydro-1H-pyrano[4,3-c]pyridine?
The IUPAC name of 3,5,6,7,8,8a-hexahydro-1H-pyrano[4,3-c]pyridine (CID 166785270) is 3,5,6,7,8,8a-hexahydro-1H-pyrano[4,3-c]pyridine.
What is the SMILES notation for 3,5,6,7,8,8a-hexahydro-1H-pyrano[4,3-c]pyridine?
The canonical SMILES for 3,5,6,7,8,8a-hexahydro-1H-pyrano[4,3-c]pyridine is C1=C2CNCCC2COC1.
What is the InChIKey of 3,5,6,7,8,8a-hexahydro-1H-pyrano[4,3-c]pyridine?
The InChIKey is XXSZROCXOABMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-9-5-7-2-4-10-6-8(1)7/h2,8-9H,1,3-6H2.
What are the key properties of 3,5,6,7,8,8a-hexahydro-1H-pyrano[4,3-c]pyridine?
3,5,6,7,8,8a-hexahydro-1H-pyrano[4,3-c]pyridine has a molecular weight of 139.20 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,7,8,8a-hexahydro-1H-pyrano[4,3-c]pyridine is sourced from PubChem (CID 166785270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).