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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Related Compounds

3-(1-aminoethyl)-6-tert-butyl-1-cyclohexylpyridin-2-one
CID 82523506
2-(6-tert-butyl-1-cyclopentyl-2-oxo-3-pyridinyl)acetyl chloride
CID 82523529
6-tert-butyl-1-cyclopentyl-2-oxopyridine-3-carbonitrile
CID 82523553
6-tert-butyl-1-cyclopentyl-3-[(propan-2-ylamino)methyl]pyridin-2-one
CID 82523549
1-cyclopentyl-3-(2-hydroxypropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522859
3-(aminomethyl)-6-tert-butyl-1-cyclopropylpyridin-2-one
CID 82189037
6-bromo-3-tert-butyl-1-cyclopropylpyridin-2-one
CID 155654468
3-[amino-(4-methylphenyl)methyl]-6-tert-butyl-1-cyclopropylpyridin-2-one
CID 82523734
2-tert-butyl-1-cyclopentylpyrrole
CID 167365974
2-(1-cyclopentyl-6-methyl-2-oxo-3-pyridinyl)acetyl chloride
CID 82524860
1-cyclopropyl-6-ethyl-3-(2-hydroxypropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521552
2,6-ditert-butyl-1-cyclobutylindole
CID 153429566

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).