3-butan-2-yl-5-cyclopropyl-1-(oxan-4-yl)pyridin-2-one

C17H25NO2 — CID 157041517

IUPAC3-butan-2-yl-5-cyclopropyl-1-(oxan-4-yl)pyridin-2-one
SMILESCCC(C)c1cc(C2CC2)cn(C2CCOCC2)c1=O
InChIInChI=1S/C17H25NO2/c1-3-12(2)16-10-14(13-4-5-13)11-18(17(16)19)15-6-8-20-9-7-15/h10-13,15H,3-9H2,1-2H3
InChIKeyRGKROSQGYIRQBZ-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.59
Rot. Bonds4

About 3-butan-2-yl-5-cyclopropyl-1-(oxan-4-yl)pyridin-2-one

3-butan-2-yl-5-cyclopropyl-1-(oxan-4-yl)pyridin-2-one (PubChem CID 157041517) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-butan-2-yl-5-cyclopropyl-1-(oxan-4-yl)pyridin-2-one.

Molecular Properties

Compound Name3-butan-2-yl-5-cyclopropyl-1-(oxan-4-yl)pyridin-2-one
PubChem CID157041517
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-butan-2-yl-5-cyclopropyl-1-(oxan-4-yl)pyridin-2-one
SMILESCCC(C)c1cc(C2CC2)cn(C2CCOCC2)c1=O
InChIInChI=1S/C17H25NO2/c1-3-12(2)16-10-14(13-4-5-13)11-18(17(16)19)15-6-8-20-9-7-15/h10-13,15H,3-9H2,1-2H3
InChIKeyRGKROSQGYIRQBZ-UHFFFAOYSA-N
XLogP3.59
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-5-cyclopropyl-1-(oxan-4-yl)pyridin-2-one?
The IUPAC name of 3-butan-2-yl-5-cyclopropyl-1-(oxan-4-yl)pyridin-2-one (CID 157041517) is 3-butan-2-yl-5-cyclopropyl-1-(oxan-4-yl)pyridin-2-one.
What is the SMILES notation for 3-butan-2-yl-5-cyclopropyl-1-(oxan-4-yl)pyridin-2-one?
The canonical SMILES for 3-butan-2-yl-5-cyclopropyl-1-(oxan-4-yl)pyridin-2-one is CCC(C)c1cc(C2CC2)cn(C2CCOCC2)c1=O.
What is the InChIKey of 3-butan-2-yl-5-cyclopropyl-1-(oxan-4-yl)pyridin-2-one?
The InChIKey is RGKROSQGYIRQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-12(2)16-10-14(13-4-5-13)11-18(17(16)19)15-6-8-20-9-7-15/h10-13,15H,3-9H2,1-2H3.
What are the key properties of 3-butan-2-yl-5-cyclopropyl-1-(oxan-4-yl)pyridin-2-one?
3-butan-2-yl-5-cyclopropyl-1-(oxan-4-yl)pyridin-2-one has a molecular weight of 275.39 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-5-cyclopropyl-1-(oxan-4-yl)pyridin-2-one is sourced from PubChem (CID 157041517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).