1-(2-hydroxyethyl)-3-prop-2-enoxypyridin-2-one

C10H13NO3 — CID 82150726

IUPAC1-(2-hydroxyethyl)-3-prop-2-enoxypyridin-2-one
SMILESC=CCOc1cccn(CCO)c1=O
InChIInChI=1S/C10H13NO3/c1-2-8-14-9-4-3-5-11(6-7-12)10(9)13/h2-5,12H,1,6-8H2
InChIKeyXXDPOFWGVPSJJZ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.41
Rot. Bonds5

About 1-(2-hydroxyethyl)-3-prop-2-enoxypyridin-2-one

1-(2-hydroxyethyl)-3-prop-2-enoxypyridin-2-one (PubChem CID 82150726) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-prop-2-enoxypyridin-2-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-prop-2-enoxypyridin-2-one
PubChem CID82150726
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name1-(2-hydroxyethyl)-3-prop-2-enoxypyridin-2-one
SMILESC=CCOc1cccn(CCO)c1=O
InChIInChI=1S/C10H13NO3/c1-2-8-14-9-4-3-5-11(6-7-12)10(9)13/h2-5,12H,1,6-8H2
InChIKeyXXDPOFWGVPSJJZ-UHFFFAOYSA-N
XLogP0.41
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-hydroxyethyl)-3-prop-2-enoxypyridin-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

1-(2-hydroxyethyl)-3-(3-hydroxypropoxy)pyridin-2-one
CID 82150744
2-(2-oxo-3-prop-2-enoxy-1-pyridinyl)acetonitrile
CID 82143634
3-heptoxy-1-(2-hydroxyethyl)pyridin-2-one
CID 82150733
1-(2-aminobutyl)-3-prop-2-enoxypyridin-2-one
CID 82144040
1-(2-hydroxyethyl)-3-(2-morpholin-4-ylethoxy)pyridin-2-one
CID 82150749
4-[(2-oxo-3-prop-2-enoxy-1-pyridinyl)methyl]benzonitrile
CID 82150658
1-[3-(4-aminophenoxy)propyl]-3-(3-hydroxypropoxy)pyridin-2-one
CID 94758715
2-[3-(3-hydroxypropoxy)-2-oxo-1-pyridinyl]acetic acid
CID 82056097
5-prop-2-enoxy-2-propylisoquinolin-1-one
CID 43985528
2-[[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]oxy]-N-phenylacetamide
CID 82150868
1-[3-(3-aminophenoxy)propyl]-3-(3-hydroxypropoxy)pyridin-2-one
CID 94758704
5-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]pentanoic acid
CID 82151547

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-prop-2-enoxypyridin-2-one?
The IUPAC name of 1-(2-hydroxyethyl)-3-prop-2-enoxypyridin-2-one (CID 82150726) is 1-(2-hydroxyethyl)-3-prop-2-enoxypyridin-2-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-prop-2-enoxypyridin-2-one?
The canonical SMILES for 1-(2-hydroxyethyl)-3-prop-2-enoxypyridin-2-one is C=CCOc1cccn(CCO)c1=O.
What is the InChIKey of 1-(2-hydroxyethyl)-3-prop-2-enoxypyridin-2-one?
The InChIKey is XXDPOFWGVPSJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-2-8-14-9-4-3-5-11(6-7-12)10(9)13/h2-5,12H,1,6-8H2.
What are the key properties of 1-(2-hydroxyethyl)-3-prop-2-enoxypyridin-2-one?
1-(2-hydroxyethyl)-3-prop-2-enoxypyridin-2-one has a molecular weight of 195.22 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-prop-2-enoxypyridin-2-one is sourced from PubChem (CID 82150726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).