3-tert-butyl-5-cyclopropyl-1-(oxan-3-yl)pyridin-2-one

C17H25NO2 — CID 157042397

IUPAC3-tert-butyl-5-cyclopropyl-1-(oxan-3-yl)pyridin-2-one
SMILESCC(C)(C)c1cc(C2CC2)cn(C2CCCOC2)c1=O
InChIInChI=1S/C17H25NO2/c1-17(2,3)15-9-13(12-6-7-12)10-18(16(15)19)14-5-4-8-20-11-14/h9-10,12,14H,4-8,11H2,1-3H3
InChIKeyKBCQGGCUKHXXHZ-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.37
Rot. Bonds2

About 3-tert-butyl-5-cyclopropyl-1-(oxan-3-yl)pyridin-2-one

3-tert-butyl-5-cyclopropyl-1-(oxan-3-yl)pyridin-2-one (PubChem CID 157042397) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-tert-butyl-5-cyclopropyl-1-(oxan-3-yl)pyridin-2-one.

Molecular Properties

Compound Name3-tert-butyl-5-cyclopropyl-1-(oxan-3-yl)pyridin-2-one
PubChem CID157042397
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-tert-butyl-5-cyclopropyl-1-(oxan-3-yl)pyridin-2-one
SMILESCC(C)(C)c1cc(C2CC2)cn(C2CCCOC2)c1=O
InChIInChI=1S/C17H25NO2/c1-17(2,3)15-9-13(12-6-7-12)10-18(16(15)19)14-5-4-8-20-11-14/h9-10,12,14H,4-8,11H2,1-3H3
InChIKeyKBCQGGCUKHXXHZ-UHFFFAOYSA-N
XLogP3.37
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-cyclopropyl-1-(oxan-3-yl)pyridin-2-one?
The IUPAC name of 3-tert-butyl-5-cyclopropyl-1-(oxan-3-yl)pyridin-2-one (CID 157042397) is 3-tert-butyl-5-cyclopropyl-1-(oxan-3-yl)pyridin-2-one.
What is the SMILES notation for 3-tert-butyl-5-cyclopropyl-1-(oxan-3-yl)pyridin-2-one?
The canonical SMILES for 3-tert-butyl-5-cyclopropyl-1-(oxan-3-yl)pyridin-2-one is CC(C)(C)c1cc(C2CC2)cn(C2CCCOC2)c1=O.
What is the InChIKey of 3-tert-butyl-5-cyclopropyl-1-(oxan-3-yl)pyridin-2-one?
The InChIKey is KBCQGGCUKHXXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-17(2,3)15-9-13(12-6-7-12)10-18(16(15)19)14-5-4-8-20-11-14/h9-10,12,14H,4-8,11H2,1-3H3.
What are the key properties of 3-tert-butyl-5-cyclopropyl-1-(oxan-3-yl)pyridin-2-one?
3-tert-butyl-5-cyclopropyl-1-(oxan-3-yl)pyridin-2-one has a molecular weight of 275.39 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-cyclopropyl-1-(oxan-3-yl)pyridin-2-one is sourced from PubChem (CID 157042397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).