5-(3-methylbut-2-enoxymethyl)-1H-pyridin-2-one

C11H15NO2 — CID 170125068

IUPAC5-(3-methylbut-2-enoxymethyl)-1H-pyridin-2-one
SMILESCC(C)=CCOCc1ccc(=O)[nH]c1
InChIInChI=1S/C11H15NO2/c1-9(2)5-6-14-8-10-3-4-11(13)12-7-10/h3-5,7H,6,8H2,1-2H3,(H,12,13)
InChIKeyPIKWLXYUMAWCTA-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.86
Rot. Bonds4

About 5-(3-methylbut-2-enoxymethyl)-1H-pyridin-2-one

5-(3-methylbut-2-enoxymethyl)-1H-pyridin-2-one (PubChem CID 170125068) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-(3-methylbut-2-enoxymethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(3-methylbut-2-enoxymethyl)-1H-pyridin-2-one
PubChem CID170125068
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name5-(3-methylbut-2-enoxymethyl)-1H-pyridin-2-one
SMILESCC(C)=CCOCc1ccc(=O)[nH]c1
InChIInChI=1S/C11H15NO2/c1-9(2)5-6-14-8-10-3-4-11(13)12-7-10/h3-5,7H,6,8H2,1-2H3,(H,12,13)
InChIKeyPIKWLXYUMAWCTA-UHFFFAOYSA-N
XLogP1.86
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-1H-pyridin-2-one;molecular hydrogen
CID 142493028
5-(iodomethyl)-1H-pyridin-2-one
CID 126675889
2-(6-oxo-1H-pyridin-3-yl)ethanesulfonic acid
CID 19377950
(6-oxo-1H-pyridin-3-yl)methylcarbamic acid
CID 155169577
5-[(1E)-3,7-dimethylocta-1,6-dienyl]-1H-pyridin-2-one
CID 166512658
(Z)-4-[(4-bromophenyl)methoxy]-2-methylbut-2-enoic acid
CID 82827868
5-(bromomethyl)-1H-pyridin-2-one;hydrobromide
CID 57475483
5-(aminomethyl)-1H-pyridin-2-one;dihydrobromide
CID 54594095
[(E)-3-methylpent-2-enoxy]methylbenzene
CID 12622244
5-[(prop-2-enylamino)methyl]-1H-pyridin-2-one
CID 67817743
3-bromobut-2-enoxymethylbenzene
CID 85427694
[(2Z,6Z)-8-bromo-3,7-dimethylocta-2,6-dienoxy]methylbenzene
CID 102293653

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbut-2-enoxymethyl)-1H-pyridin-2-one?
The IUPAC name of 5-(3-methylbut-2-enoxymethyl)-1H-pyridin-2-one (CID 170125068) is 5-(3-methylbut-2-enoxymethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(3-methylbut-2-enoxymethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(3-methylbut-2-enoxymethyl)-1H-pyridin-2-one is CC(C)=CCOCc1ccc(=O)[nH]c1.
What is the InChIKey of 5-(3-methylbut-2-enoxymethyl)-1H-pyridin-2-one?
The InChIKey is PIKWLXYUMAWCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-9(2)5-6-14-8-10-3-4-11(13)12-7-10/h3-5,7H,6,8H2,1-2H3,(H,12,13).
What are the key properties of 5-(3-methylbut-2-enoxymethyl)-1H-pyridin-2-one?
5-(3-methylbut-2-enoxymethyl)-1H-pyridin-2-one has a molecular weight of 193.25 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbut-2-enoxymethyl)-1H-pyridin-2-one is sourced from PubChem (CID 170125068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).