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

C16H25NO3 — CID 90426470

IUPAC5-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one
SMILESCCC(C)(O)C1CCCCC1COc1ccc(=O)[nH]c1
InChIInChI=1S/C16H25NO3/c1-3-16(2,19)14-7-5-4-6-12(14)11-20-13-8-9-15(18)17-10-13/h8-10,12,14,19H,3-7,11H2,1-2H3,(H,17,18)
InChIKeyVIVDHWYBKKUFLM-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.72
Rot. Bonds5

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

5-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one (PubChem CID 90426470) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one
PubChem CID90426470
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name5-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one
SMILESCCC(C)(O)C1CCCCC1COc1ccc(=O)[nH]c1
InChIInChI=1S/C16H25NO3/c1-3-16(2,19)14-7-5-4-6-12(14)11-20-13-8-9-15(18)17-10-13/h8-10,12,14,19H,3-7,11H2,1-2H3,(H,17,18)
InChIKeyVIVDHWYBKKUFLM-UHFFFAOYSA-N
XLogP2.72
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexyl]butan-2-ol
CID 90426363
3-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde
CID 90428188
5-[[2-(2-hydroxypentan-2-yl)cyclohexen-1-yl]methoxy]-1H-pyridin-2-one
CID 90427076
2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexyl]propan-2-ol
CID 90427949
3-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-6-methylpyridine-2-carbaldehyde
CID 118867820
1-tert-butyl-4-[[(1S)-2-methylcyclohexyl]methoxy]benzene
CID 144526488
N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 7107433
N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 3933880
3-chloro-2-hydroxy-6-[[2-(2-hydroxypropan-2-yl)cyclohexyl]methoxy]benzaldehyde
CID 86275548
trans-(2R,3S)-2-hexyl-3-[[4-(1-hydroxy-2-methylpropan-2-yl)phenoxy]methyl]cyclohexan-1-one
CID 143261517
(2R)-N-cyclohexyl-2-(4-fluorophenoxy)butanamide
CID 28569448
2-(cyclopentylamino)-2-(4-ethoxyphenyl)propanamide
CID 60999099

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one?
The IUPAC name of 5-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one (CID 90426470) is 5-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one.
What is the SMILES notation for 5-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one?
The canonical SMILES for 5-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one is CCC(C)(O)C1CCCCC1COc1ccc(=O)[nH]c1.
What is the InChIKey of 5-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one?
The InChIKey is VIVDHWYBKKUFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-3-16(2,19)14-7-5-4-6-12(14)11-20-13-8-9-15(18)17-10-13/h8-10,12,14,19H,3-7,11H2,1-2H3,(H,17,18).
What are the key properties of 5-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one?
5-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one has a molecular weight of 279.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one is sourced from PubChem (CID 90426470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).