3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine

C8H15NO — CID 15557571

IUPAC3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine
SMILESC1COC2CCNCC2C1
InChIInChI=1S/C8H15NO/c1-2-7-6-9-4-3-8(7)10-5-1/h7-9H,1-6H2
InChIKeyQVUHVUAMDYNYRF-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.77
Rot. Bonds

About 3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine

3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine (PubChem CID 15557571) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine.

Molecular Properties

Compound Name3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine
PubChem CID15557571
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine
SMILESC1COC2CCNCC2C1
InChIInChI=1S/C8H15NO/c1-2-7-6-9-4-3-8(7)10-5-1/h7-9H,1-6H2
InChIKeyQVUHVUAMDYNYRF-UHFFFAOYSA-N
XLogP0.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine?
The IUPAC name of 3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine (CID 15557571) is 3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine.
What is the SMILES notation for 3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine?
The canonical SMILES for 3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine is C1COC2CCNCC2C1.
What is the InChIKey of 3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine?
The InChIKey is QVUHVUAMDYNYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-7-6-9-4-3-8(7)10-5-1/h7-9H,1-6H2.
What are the key properties of 3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine?
3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine has a molecular weight of 141.21 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine is sourced from PubChem (CID 15557571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).