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

C17H25NO3 — CID 90427076

IUPAC5-[[2-(2-hydroxypentan-2-yl)cyclohexen-1-yl]methoxy]-1H-pyridin-2-one
SMILESCCCC(C)(O)C1=C(COc2ccc(=O)[nH]c2)CCCC1
InChIInChI=1S/C17H25NO3/c1-3-10-17(2,20)15-7-5-4-6-13(15)12-21-14-8-9-16(19)18-11-14/h8-9,11,20H,3-7,10,12H2,1-2H3,(H,18,19)
InChIKeyOIKLNDYAQVFOEE-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.18
Rot. Bonds6

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

5-[[2-(2-hydroxypentan-2-yl)cyclohexen-1-yl]methoxy]-1H-pyridin-2-one (PubChem CID 90427076) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 5-[[2-(2-hydroxypentan-2-yl)cyclohexen-1-yl]methoxy]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[[2-(2-hydroxypentan-2-yl)cyclohexen-1-yl]methoxy]-1H-pyridin-2-one
PubChem CID90427076
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name5-[[2-(2-hydroxypentan-2-yl)cyclohexen-1-yl]methoxy]-1H-pyridin-2-one
SMILESCCCC(C)(O)C1=C(COc2ccc(=O)[nH]c2)CCCC1
InChIInChI=1S/C17H25NO3/c1-3-10-17(2,20)15-7-5-4-6-13(15)12-21-14-8-9-16(19)18-11-14/h8-9,11,20H,3-7,10,12H2,1-2H3,(H,18,19)
InChIKeyOIKLNDYAQVFOEE-UHFFFAOYSA-N
XLogP3.18
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[[2-(2-hydroxypentan-2-yl)cyclohexen-1-yl]methoxy]-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[2-(2-hydroxypropan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one
CID 90426201
5-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one
CID 90426470
5-[[2-(2-hydroxybutan-2-yl)cyclohexen-1-yl]methoxy]-1H-pyridin-2-one
CID 90426866
5-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one
CID 90426880
5-[[2-(2-hydroxybutan-2-yl)cyclohexen-1-yl]methoxy]-2-oxo-1H-pyridine-4-carbaldehyde
CID 90434239
5-[[2-(2-hydroxypropan-2-yl)cyclohexen-1-yl]methoxy]-2-oxo-1H-pyridine-4-carbaldehyde
CID 90434243
5-[[2-(2-hydroxypentan-2-yl)cyclohexen-1-yl]methoxy]-2-oxo-1H-pyridine-4-carbaldehyde
CID 90434245
5-[1-(4-propan-2-yl-3,6-dihydro-2H-pyran-2-yl)propan-2-yl]-1H-pyridin-2-one
CID 169586821

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-hydroxypentan-2-yl)cyclohexen-1-yl]methoxy]-1H-pyridin-2-one?
The IUPAC name of 5-[[2-(2-hydroxypentan-2-yl)cyclohexen-1-yl]methoxy]-1H-pyridin-2-one (CID 90427076) is 5-[[2-(2-hydroxypentan-2-yl)cyclohexen-1-yl]methoxy]-1H-pyridin-2-one.
What is the SMILES notation for 5-[[2-(2-hydroxypentan-2-yl)cyclohexen-1-yl]methoxy]-1H-pyridin-2-one?
The canonical SMILES for 5-[[2-(2-hydroxypentan-2-yl)cyclohexen-1-yl]methoxy]-1H-pyridin-2-one is CCCC(C)(O)C1=C(COc2ccc(=O)[nH]c2)CCCC1.
What is the InChIKey of 5-[[2-(2-hydroxypentan-2-yl)cyclohexen-1-yl]methoxy]-1H-pyridin-2-one?
The InChIKey is OIKLNDYAQVFOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-10-17(2,20)15-7-5-4-6-13(15)12-21-14-8-9-16(19)18-11-14/h8-9,11,20H,3-7,10,12H2,1-2H3,(H,18,19).
What are the key properties of 5-[[2-(2-hydroxypentan-2-yl)cyclohexen-1-yl]methoxy]-1H-pyridin-2-one?
5-[[2-(2-hydroxypentan-2-yl)cyclohexen-1-yl]methoxy]-1H-pyridin-2-one has a molecular weight of 291.39 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-hydroxypentan-2-yl)cyclohexen-1-yl]methoxy]-1H-pyridin-2-one is sourced from PubChem (CID 90427076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).