6-methyl-4,4a,5,7,8,8a-hexahydropyrano[3,2-c]pyridin-3-one

C9H15NO2 — CID 157343181

IUPAC6-methyl-4,4a,5,7,8,8a-hexahydropyrano[3,2-c]pyridin-3-one
SMILESCN1CCC2OCC(=O)CC2C1
InChIInChI=1S/C9H15NO2/c1-10-3-2-9-7(5-10)4-8(11)6-12-9/h7,9H,2-6H2,1H3
InChIKeyFFBHZZYLZHYNNE-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.30
Rot. Bonds

About 6-methyl-4,4a,5,7,8,8a-hexahydropyrano[3,2-c]pyridin-3-one

6-methyl-4,4a,5,7,8,8a-hexahydropyrano[3,2-c]pyridin-3-one (PubChem CID 157343181) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 6-methyl-4,4a,5,7,8,8a-hexahydropyrano[3,2-c]pyridin-3-one.

Molecular Properties

Compound Name6-methyl-4,4a,5,7,8,8a-hexahydropyrano[3,2-c]pyridin-3-one
PubChem CID157343181
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name6-methyl-4,4a,5,7,8,8a-hexahydropyrano[3,2-c]pyridin-3-one
SMILESCN1CCC2OCC(=O)CC2C1
InChIInChI=1S/C9H15NO2/c1-10-3-2-9-7(5-10)4-8(11)6-12-9/h7,9H,2-6H2,1H3
InChIKeyFFBHZZYLZHYNNE-UHFFFAOYSA-N
XLogP0.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4,4a,5,7,8,8a-hexahydropyrano[3,2-c]pyridin-3-one?
The IUPAC name of 6-methyl-4,4a,5,7,8,8a-hexahydropyrano[3,2-c]pyridin-3-one (CID 157343181) is 6-methyl-4,4a,5,7,8,8a-hexahydropyrano[3,2-c]pyridin-3-one.
What is the SMILES notation for 6-methyl-4,4a,5,7,8,8a-hexahydropyrano[3,2-c]pyridin-3-one?
The canonical SMILES for 6-methyl-4,4a,5,7,8,8a-hexahydropyrano[3,2-c]pyridin-3-one is CN1CCC2OCC(=O)CC2C1.
What is the InChIKey of 6-methyl-4,4a,5,7,8,8a-hexahydropyrano[3,2-c]pyridin-3-one?
The InChIKey is FFBHZZYLZHYNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-10-3-2-9-7(5-10)4-8(11)6-12-9/h7,9H,2-6H2,1H3.
What are the key properties of 6-methyl-4,4a,5,7,8,8a-hexahydropyrano[3,2-c]pyridin-3-one?
6-methyl-4,4a,5,7,8,8a-hexahydropyrano[3,2-c]pyridin-3-one has a molecular weight of 169.22 g/mol, XLogP of 0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4,4a,5,7,8,8a-hexahydropyrano[3,2-c]pyridin-3-one is sourced from PubChem (CID 157343181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).