6-tert-butyl-1-cyclopentyl-3-(2-hydroxypropan-2-yl)pyridin-2-one

C17H27NO2 — CID 82523536

IUPAC6-tert-butyl-1-cyclopentyl-3-(2-hydroxypropan-2-yl)pyridin-2-one
SMILESCC(C)(C)c1ccc(C(C)(C)O)c(=O)n1C1CCCC1
InChIInChI=1S/C17H27NO2/c1-16(2,3)14-11-10-13(17(4,5)20)15(19)18(14)12-8-6-7-9-12/h10-12,20H,6-9H2,1-5H3
InChIKeyIBLNIKYIGGUTCI-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.49
Rot. Bonds2

About 6-tert-butyl-1-cyclopentyl-3-(2-hydroxypropan-2-yl)pyridin-2-one

6-tert-butyl-1-cyclopentyl-3-(2-hydroxypropan-2-yl)pyridin-2-one (PubChem CID 82523536) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 6-tert-butyl-1-cyclopentyl-3-(2-hydroxypropan-2-yl)pyridin-2-one.

Molecular Properties

Compound Name6-tert-butyl-1-cyclopentyl-3-(2-hydroxypropan-2-yl)pyridin-2-one
PubChem CID82523536
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name6-tert-butyl-1-cyclopentyl-3-(2-hydroxypropan-2-yl)pyridin-2-one
SMILESCC(C)(C)c1ccc(C(C)(C)O)c(=O)n1C1CCCC1
InChIInChI=1S/C17H27NO2/c1-16(2,3)14-11-10-13(17(4,5)20)15(19)18(14)12-8-6-7-9-12/h10-12,20H,6-9H2,1-5H3
InChIKeyIBLNIKYIGGUTCI-UHFFFAOYSA-N
XLogP3.49
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-cyclopentyl-3-(2-hydroxypropan-2-yl)pyridin-2-one?
The IUPAC name of 6-tert-butyl-1-cyclopentyl-3-(2-hydroxypropan-2-yl)pyridin-2-one (CID 82523536) is 6-tert-butyl-1-cyclopentyl-3-(2-hydroxypropan-2-yl)pyridin-2-one.
What is the SMILES notation for 6-tert-butyl-1-cyclopentyl-3-(2-hydroxypropan-2-yl)pyridin-2-one?
The canonical SMILES for 6-tert-butyl-1-cyclopentyl-3-(2-hydroxypropan-2-yl)pyridin-2-one is CC(C)(C)c1ccc(C(C)(C)O)c(=O)n1C1CCCC1.
What is the InChIKey of 6-tert-butyl-1-cyclopentyl-3-(2-hydroxypropan-2-yl)pyridin-2-one?
The InChIKey is IBLNIKYIGGUTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-16(2,3)14-11-10-13(17(4,5)20)15(19)18(14)12-8-6-7-9-12/h10-12,20H,6-9H2,1-5H3.
What are the key properties of 6-tert-butyl-1-cyclopentyl-3-(2-hydroxypropan-2-yl)pyridin-2-one?
6-tert-butyl-1-cyclopentyl-3-(2-hydroxypropan-2-yl)pyridin-2-one has a molecular weight of 277.41 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-cyclopentyl-3-(2-hydroxypropan-2-yl)pyridin-2-one is sourced from PubChem (CID 82523536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).