(4aS,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrano[4,3-c]pyridin-3-one

C8H13NO2 — CID 165083138

IUPAC(4aS,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrano[4,3-c]pyridin-3-one
SMILESO=C1C[C@@H]2CNCC[C@H]2CO1
InChIInChI=1S/C8H13NO2/c10-8-3-7-4-9-2-1-6(7)5-11-8/h6-7,9H,1-5H2/t6-,7+/m0/s1
InChIKeyJXNCOAABDKVWJP-NKWVEPMBSA-N
MW155.20 g/mol
LogP0.16
Rot. Bonds

About (4aS,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrano[4,3-c]pyridin-3-one

(4aS,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrano[4,3-c]pyridin-3-one (PubChem CID 165083138) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (4aS,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrano[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name(4aS,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrano[4,3-c]pyridin-3-one
PubChem CID165083138
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(4aS,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrano[4,3-c]pyridin-3-one
SMILESO=C1C[C@@H]2CNCC[C@H]2CO1
InChIInChI=1S/C8H13NO2/c10-8-3-7-4-9-2-1-6(7)5-11-8/h6-7,9H,1-5H2/t6-,7+/m0/s1
InChIKeyJXNCOAABDKVWJP-NKWVEPMBSA-N
XLogP0.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4aS,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrano[4,3-c]pyridin-3-one?
The IUPAC name of (4aS,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrano[4,3-c]pyridin-3-one (CID 165083138) is (4aS,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrano[4,3-c]pyridin-3-one.
What is the SMILES notation for (4aS,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrano[4,3-c]pyridin-3-one?
The canonical SMILES for (4aS,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrano[4,3-c]pyridin-3-one is O=C1C[C@@H]2CNCC[C@H]2CO1.
What is the InChIKey of (4aS,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrano[4,3-c]pyridin-3-one?
The InChIKey is JXNCOAABDKVWJP-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H13NO2/c10-8-3-7-4-9-2-1-6(7)5-11-8/h6-7,9H,1-5H2/t6-,7+/m0/s1.
What are the key properties of (4aS,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrano[4,3-c]pyridin-3-one?
(4aS,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrano[4,3-c]pyridin-3-one has a molecular weight of 155.20 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrano[4,3-c]pyridin-3-one is sourced from PubChem (CID 165083138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).