(4aS,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridine

C8H15NO — CID 92794225

IUPAC(4aS,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridine
SMILESC1CN[C@H]2CCOC[C@H]2C1
InChIInChI=1S/C8H15NO/c1-2-7-6-10-5-3-8(7)9-4-1/h7-9H,1-6H2/t7-,8+/m1/s1
InChIKeyOPSDHEWDTCRNPP-SFYZADRCSA-N
MW141.21 g/mol
LogP0.77
Rot. Bonds

About (4aS,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridine

(4aS,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridine (PubChem CID 92794225) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (4aS,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridine.

Molecular Properties

Compound Name(4aS,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridine
PubChem CID92794225
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(4aS,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridine
SMILESC1CN[C@H]2CCOC[C@H]2C1
InChIInChI=1S/C8H15NO/c1-2-7-6-10-5-3-8(7)9-4-1/h7-9H,1-6H2/t7-,8+/m1/s1
InChIKeyOPSDHEWDTCRNPP-SFYZADRCSA-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 (4aS,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridine?
The IUPAC name of (4aS,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridine (CID 92794225) is (4aS,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridine.
What is the SMILES notation for (4aS,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridine?
The canonical SMILES for (4aS,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridine is C1CN[C@H]2CCOC[C@H]2C1.
What is the InChIKey of (4aS,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridine?
The InChIKey is OPSDHEWDTCRNPP-SFYZADRCSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-7-6-10-5-3-8(7)9-4-1/h7-9H,1-6H2/t7-,8+/m1/s1.
What are the key properties of (4aS,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridine?
(4aS,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]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 (4aS,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridine is sourced from PubChem (CID 92794225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).