5-cyclopropyl-1-(oxan-4-yl)-3-propan-2-ylpyridin-2-one

C16H23NO2 — CID 167449259

IUPAC5-cyclopropyl-1-(oxan-4-yl)-3-propan-2-ylpyridin-2-one
SMILESCC(C)c1cc(C2CC2)cn(C2CCOCC2)c1=O
InChIInChI=1S/C16H23NO2/c1-11(2)15-9-13(12-3-4-12)10-17(16(15)18)14-5-7-19-8-6-14/h9-12,14H,3-8H2,1-2H3
InChIKeyXDAZLWSJVXLLON-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.20
Rot. Bonds3

About 5-cyclopropyl-1-(oxan-4-yl)-3-propan-2-ylpyridin-2-one

5-cyclopropyl-1-(oxan-4-yl)-3-propan-2-ylpyridin-2-one (PubChem CID 167449259) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 5-cyclopropyl-1-(oxan-4-yl)-3-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-cyclopropyl-1-(oxan-4-yl)-3-propan-2-ylpyridin-2-one
PubChem CID167449259
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name5-cyclopropyl-1-(oxan-4-yl)-3-propan-2-ylpyridin-2-one
SMILESCC(C)c1cc(C2CC2)cn(C2CCOCC2)c1=O
InChIInChI=1S/C16H23NO2/c1-11(2)15-9-13(12-3-4-12)10-17(16(15)18)14-5-7-19-8-6-14/h9-12,14H,3-8H2,1-2H3
InChIKeyXDAZLWSJVXLLON-UHFFFAOYSA-N
XLogP3.20
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(oxan-4-yl)-3-propan-2-ylpyridin-2-one?
The IUPAC name of 5-cyclopropyl-1-(oxan-4-yl)-3-propan-2-ylpyridin-2-one (CID 167449259) is 5-cyclopropyl-1-(oxan-4-yl)-3-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-cyclopropyl-1-(oxan-4-yl)-3-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-cyclopropyl-1-(oxan-4-yl)-3-propan-2-ylpyridin-2-one is CC(C)c1cc(C2CC2)cn(C2CCOCC2)c1=O.
What is the InChIKey of 5-cyclopropyl-1-(oxan-4-yl)-3-propan-2-ylpyridin-2-one?
The InChIKey is XDAZLWSJVXLLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11(2)15-9-13(12-3-4-12)10-17(16(15)18)14-5-7-19-8-6-14/h9-12,14H,3-8H2,1-2H3.
What are the key properties of 5-cyclopropyl-1-(oxan-4-yl)-3-propan-2-ylpyridin-2-one?
5-cyclopropyl-1-(oxan-4-yl)-3-propan-2-ylpyridin-2-one has a molecular weight of 261.36 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(oxan-4-yl)-3-propan-2-ylpyridin-2-one is sourced from PubChem (CID 167449259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).