1,2,3,4,4a,8a-hexahydropyrano[3,4-b]pyridin-8-one

C8H11NO2 — CID 72746062

IUPAC1,2,3,4,4a,8a-hexahydropyrano[3,4-b]pyridin-8-one
SMILESO=C1OC=CC2CCCNC12
InChIInChI=1S/C8H11NO2/c10-8-7-6(3-5-11-8)2-1-4-9-7/h3,5-7,9H,1-2,4H2
InChIKeyJQUDSSLMTAVVQX-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.43
Rot. Bonds

About 1,2,3,4,4a,8a-hexahydropyrano[3,4-b]pyridin-8-one

1,2,3,4,4a,8a-hexahydropyrano[3,4-b]pyridin-8-one (PubChem CID 72746062) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 1,2,3,4,4a,8a-hexahydropyrano[3,4-b]pyridin-8-one.

Molecular Properties

Compound Name1,2,3,4,4a,8a-hexahydropyrano[3,4-b]pyridin-8-one
PubChem CID72746062
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name1,2,3,4,4a,8a-hexahydropyrano[3,4-b]pyridin-8-one
SMILESO=C1OC=CC2CCCNC12
InChIInChI=1S/C8H11NO2/c10-8-7-6(3-5-11-8)2-1-4-9-7/h3,5-7,9H,1-2,4H2
InChIKeyJQUDSSLMTAVVQX-UHFFFAOYSA-N
XLogP0.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,8a-hexahydropyrano[3,4-b]pyridin-8-one?
The IUPAC name of 1,2,3,4,4a,8a-hexahydropyrano[3,4-b]pyridin-8-one (CID 72746062) is 1,2,3,4,4a,8a-hexahydropyrano[3,4-b]pyridin-8-one.
What is the SMILES notation for 1,2,3,4,4a,8a-hexahydropyrano[3,4-b]pyridin-8-one?
The canonical SMILES for 1,2,3,4,4a,8a-hexahydropyrano[3,4-b]pyridin-8-one is O=C1OC=CC2CCCNC12.
What is the InChIKey of 1,2,3,4,4a,8a-hexahydropyrano[3,4-b]pyridin-8-one?
The InChIKey is JQUDSSLMTAVVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c10-8-7-6(3-5-11-8)2-1-4-9-7/h3,5-7,9H,1-2,4H2.
What are the key properties of 1,2,3,4,4a,8a-hexahydropyrano[3,4-b]pyridin-8-one?
1,2,3,4,4a,8a-hexahydropyrano[3,4-b]pyridin-8-one has a molecular weight of 153.18 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,8a-hexahydropyrano[3,4-b]pyridin-8-one is sourced from PubChem (CID 72746062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).