1-benzyl-3-methyl-4,5,7,8-tetrahydro-3H-pyrano[4,3-b]pyridin-2-one

C16H19NO2 — CID 56977187

IUPAC1-benzyl-3-methyl-4,5,7,8-tetrahydro-3H-pyrano[4,3-b]pyridin-2-one
SMILESCC1CC2=C(CCOC2)N(Cc2ccccc2)C1=O
InChIInChI=1S/C16H19NO2/c1-12-9-14-11-19-8-7-15(14)17(16(12)18)10-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyTXORCDTULOIXMP-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.73
Rot. Bonds2

About 1-benzyl-3-methyl-4,5,7,8-tetrahydro-3H-pyrano[4,3-b]pyridin-2-one

1-benzyl-3-methyl-4,5,7,8-tetrahydro-3H-pyrano[4,3-b]pyridin-2-one (PubChem CID 56977187) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-benzyl-3-methyl-4,5,7,8-tetrahydro-3H-pyrano[4,3-b]pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-methyl-4,5,7,8-tetrahydro-3H-pyrano[4,3-b]pyridin-2-one
PubChem CID56977187
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name1-benzyl-3-methyl-4,5,7,8-tetrahydro-3H-pyrano[4,3-b]pyridin-2-one
SMILESCC1CC2=C(CCOC2)N(Cc2ccccc2)C1=O
InChIInChI=1S/C16H19NO2/c1-12-9-14-11-19-8-7-15(14)17(16(12)18)10-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyTXORCDTULOIXMP-UHFFFAOYSA-N
XLogP2.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-4,5,7,8-tetrahydro-3H-pyrano[4,3-b]pyridin-2-one?
The IUPAC name of 1-benzyl-3-methyl-4,5,7,8-tetrahydro-3H-pyrano[4,3-b]pyridin-2-one (CID 56977187) is 1-benzyl-3-methyl-4,5,7,8-tetrahydro-3H-pyrano[4,3-b]pyridin-2-one.
What is the SMILES notation for 1-benzyl-3-methyl-4,5,7,8-tetrahydro-3H-pyrano[4,3-b]pyridin-2-one?
The canonical SMILES for 1-benzyl-3-methyl-4,5,7,8-tetrahydro-3H-pyrano[4,3-b]pyridin-2-one is CC1CC2=C(CCOC2)N(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-3-methyl-4,5,7,8-tetrahydro-3H-pyrano[4,3-b]pyridin-2-one?
The InChIKey is TXORCDTULOIXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12-9-14-11-19-8-7-15(14)17(16(12)18)10-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3.
What are the key properties of 1-benzyl-3-methyl-4,5,7,8-tetrahydro-3H-pyrano[4,3-b]pyridin-2-one?
1-benzyl-3-methyl-4,5,7,8-tetrahydro-3H-pyrano[4,3-b]pyridin-2-one has a molecular weight of 257.33 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-4,5,7,8-tetrahydro-3H-pyrano[4,3-b]pyridin-2-one is sourced from PubChem (CID 56977187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).