3-methyl-2,6,7,8-tetrahydropyrano[3,2-c]pyridin-5-one

C9H11NO2 — CID 138464389

IUPAC3-methyl-2,6,7,8-tetrahydropyrano[3,2-c]pyridin-5-one
SMILESCC1=CC2=C(CCNC2=O)OC1
InChIInChI=1S/C9H11NO2/c1-6-4-7-8(12-5-6)2-3-10-9(7)11/h4H,2-3,5H2,1H3,(H,10,11)
InChIKeyMXPGABLISXIIRB-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.74
Rot. Bonds

About 3-methyl-2,6,7,8-tetrahydropyrano[3,2-c]pyridin-5-one

3-methyl-2,6,7,8-tetrahydropyrano[3,2-c]pyridin-5-one (PubChem CID 138464389) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 3-methyl-2,6,7,8-tetrahydropyrano[3,2-c]pyridin-5-one.

Molecular Properties

Compound Name3-methyl-2,6,7,8-tetrahydropyrano[3,2-c]pyridin-5-one
PubChem CID138464389
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name3-methyl-2,6,7,8-tetrahydropyrano[3,2-c]pyridin-5-one
SMILESCC1=CC2=C(CCNC2=O)OC1
InChIInChI=1S/C9H11NO2/c1-6-4-7-8(12-5-6)2-3-10-9(7)11/h4H,2-3,5H2,1H3,(H,10,11)
InChIKeyMXPGABLISXIIRB-UHFFFAOYSA-N
XLogP0.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,6,7,8-tetrahydropyrano[3,2-c]pyridin-5-one?
The IUPAC name of 3-methyl-2,6,7,8-tetrahydropyrano[3,2-c]pyridin-5-one (CID 138464389) is 3-methyl-2,6,7,8-tetrahydropyrano[3,2-c]pyridin-5-one.
What is the SMILES notation for 3-methyl-2,6,7,8-tetrahydropyrano[3,2-c]pyridin-5-one?
The canonical SMILES for 3-methyl-2,6,7,8-tetrahydropyrano[3,2-c]pyridin-5-one is CC1=CC2=C(CCNC2=O)OC1.
What is the InChIKey of 3-methyl-2,6,7,8-tetrahydropyrano[3,2-c]pyridin-5-one?
The InChIKey is MXPGABLISXIIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6-4-7-8(12-5-6)2-3-10-9(7)11/h4H,2-3,5H2,1H3,(H,10,11).
What are the key properties of 3-methyl-2,6,7,8-tetrahydropyrano[3,2-c]pyridin-5-one?
3-methyl-2,6,7,8-tetrahydropyrano[3,2-c]pyridin-5-one has a molecular weight of 165.19 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,6,7,8-tetrahydropyrano[3,2-c]pyridin-5-one is sourced from PubChem (CID 138464389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).