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

C16H23NO3 — CID 90426866

IUPAC5-[[2-(2-hydroxybutan-2-yl)cyclohexen-1-yl]methoxy]-1H-pyridin-2-one
SMILESCCC(C)(O)C1=C(COc2ccc(=O)[nH]c2)CCCC1
InChIInChI=1S/C16H23NO3/c1-3-16(2,19)14-7-5-4-6-12(14)11-20-13-8-9-15(18)17-10-13/h8-10,19H,3-7,11H2,1-2H3,(H,17,18)
InChIKeyUQEWGAXPJAITKC-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.79
Rot. Bonds5

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

5-[[2-(2-hydroxybutan-2-yl)cyclohexen-1-yl]methoxy]-1H-pyridin-2-one (PubChem CID 90426866) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 5-[[2-(2-hydroxybutan-2-yl)cyclohexen-1-yl]methoxy]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[[2-(2-hydroxybutan-2-yl)cyclohexen-1-yl]methoxy]-1H-pyridin-2-one
PubChem CID90426866
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name5-[[2-(2-hydroxybutan-2-yl)cyclohexen-1-yl]methoxy]-1H-pyridin-2-one
SMILESCCC(C)(O)C1=C(COc2ccc(=O)[nH]c2)CCCC1
InChIInChI=1S/C16H23NO3/c1-3-16(2,19)14-7-5-4-6-12(14)11-20-13-8-9-15(18)17-10-13/h8-10,19H,3-7,11H2,1-2H3,(H,17,18)
InChIKeyUQEWGAXPJAITKC-UHFFFAOYSA-N
XLogP2.79
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-hydroxybutan-2-yl)cyclohexen-1-yl]methoxy]-1H-pyridin-2-one?
The IUPAC name of 5-[[2-(2-hydroxybutan-2-yl)cyclohexen-1-yl]methoxy]-1H-pyridin-2-one (CID 90426866) is 5-[[2-(2-hydroxybutan-2-yl)cyclohexen-1-yl]methoxy]-1H-pyridin-2-one.
What is the SMILES notation for 5-[[2-(2-hydroxybutan-2-yl)cyclohexen-1-yl]methoxy]-1H-pyridin-2-one?
The canonical SMILES for 5-[[2-(2-hydroxybutan-2-yl)cyclohexen-1-yl]methoxy]-1H-pyridin-2-one is CCC(C)(O)C1=C(COc2ccc(=O)[nH]c2)CCCC1.
What is the InChIKey of 5-[[2-(2-hydroxybutan-2-yl)cyclohexen-1-yl]methoxy]-1H-pyridin-2-one?
The InChIKey is UQEWGAXPJAITKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-16(2,19)14-7-5-4-6-12(14)11-20-13-8-9-15(18)17-10-13/h8-10,19H,3-7,11H2,1-2H3,(H,17,18).
What are the key properties of 5-[[2-(2-hydroxybutan-2-yl)cyclohexen-1-yl]methoxy]-1H-pyridin-2-one?
5-[[2-(2-hydroxybutan-2-yl)cyclohexen-1-yl]methoxy]-1H-pyridin-2-one has a molecular weight of 277.36 g/mol, XLogP of 2.79, 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)cyclohexen-1-yl]methoxy]-1H-pyridin-2-one is sourced from PubChem (CID 90426866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).