5-[[2-(2-hydroxypropan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one

C15H23NO3 — CID 90426201

IUPAC5-[[2-(2-hydroxypropan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one
SMILESCC(C)(O)C1CCCCC1COc1ccc(=O)[nH]c1
InChIInChI=1S/C15H23NO3/c1-15(2,18)13-6-4-3-5-11(13)10-19-12-7-8-14(17)16-9-12/h7-9,11,13,18H,3-6,10H2,1-2H3,(H,16,17)
InChIKeyWWZYEHVOXBCPTK-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.33
Rot. Bonds4

About 5-[[2-(2-hydroxypropan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one

5-[[2-(2-hydroxypropan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one (PubChem CID 90426201) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 5-[[2-(2-hydroxypropan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[[2-(2-hydroxypropan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one
PubChem CID90426201
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name5-[[2-(2-hydroxypropan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one
SMILESCC(C)(O)C1CCCCC1COc1ccc(=O)[nH]c1
InChIInChI=1S/C15H23NO3/c1-15(2,18)13-6-4-3-5-11(13)10-19-12-7-8-14(17)16-9-12/h7-9,11,13,18H,3-6,10H2,1-2H3,(H,16,17)
InChIKeyWWZYEHVOXBCPTK-UHFFFAOYSA-N
XLogP2.33
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-hydroxypropan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one?
The IUPAC name of 5-[[2-(2-hydroxypropan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one (CID 90426201) is 5-[[2-(2-hydroxypropan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one.
What is the SMILES notation for 5-[[2-(2-hydroxypropan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one?
The canonical SMILES for 5-[[2-(2-hydroxypropan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one is CC(C)(O)C1CCCCC1COc1ccc(=O)[nH]c1.
What is the InChIKey of 5-[[2-(2-hydroxypropan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one?
The InChIKey is WWZYEHVOXBCPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15(2,18)13-6-4-3-5-11(13)10-19-12-7-8-14(17)16-9-12/h7-9,11,13,18H,3-6,10H2,1-2H3,(H,16,17).
What are the key properties of 5-[[2-(2-hydroxypropan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one?
5-[[2-(2-hydroxypropan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one has a molecular weight of 265.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-hydroxypropan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one is sourced from PubChem (CID 90426201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).