1-ethyl-2-hydroxy-4-methyl-2,5-dihydropyridin-6-one

C8H13NO2 — CID 56625241

IUPAC1-ethyl-2-hydroxy-4-methyl-2,5-dihydropyridin-6-one
SMILESCCN1C(=O)CC(C)=CC1O
InChIInChI=1S/C8H13NO2/c1-3-9-7(10)4-6(2)5-8(9)11/h4,7,10H,3,5H2,1-2H3
InChIKeyXFGREJYBICWEFY-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.50
Rot. Bonds1

About 1-ethyl-2-hydroxy-4-methyl-2,5-dihydropyridin-6-one

1-ethyl-2-hydroxy-4-methyl-2,5-dihydropyridin-6-one (PubChem CID 56625241) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-ethyl-2-hydroxy-4-methyl-2,5-dihydropyridin-6-one.

Molecular Properties

Compound Name1-ethyl-2-hydroxy-4-methyl-2,5-dihydropyridin-6-one
PubChem CID56625241
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-ethyl-2-hydroxy-4-methyl-2,5-dihydropyridin-6-one
SMILESCCN1C(=O)CC(C)=CC1O
InChIInChI=1S/C8H13NO2/c1-3-9-7(10)4-6(2)5-8(9)11/h4,7,10H,3,5H2,1-2H3
InChIKeyXFGREJYBICWEFY-UHFFFAOYSA-N
XLogP0.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-hydroxy-4-methyl-5-(oxomethylidene)-2H-pyridin-6-one
CID 19105485
1-Butyl-2-hydroxy-4-methyl-6-oxo-2,5-dihydropyridine-5-carbonitrile
CID 24870098
10-hydroxy-N,4,8-trimethyl-N-prop-2-enyldeca-4,8-dienamide
CID 54007390
2-Hydroxy-1,4-dimethyl-6-oxo-2,5-dihydropyridine-5-carbonitrile
CID 57161474
(4E,8E)-10-hydroxy-N,4,8-trimethyl-N-prop-2-enyldeca-4,8-dienamide
CID 88184375
N-butyl-N-[(E)-6-hydroxy-4-methylhex-4-enyl]acetamide
CID 88547652
2-Hydroxy-1,4-dimethyl-6-oxo-2,5-dihydropyridine-3-carbonitrile
CID 91416215
3-hydroxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 121451629
N-butyl-N-(6-hydroxy-4-methylhex-4-enyl)acetamide
CID 123322843
2-hydroxy-1-methyl-4-propyl-2H-pyrrol-5-one
CID 123934489
4-ethyl-2-hydroxy-1-methyl-2H-pyrrol-5-one
CID 135170551
2-hydroxy-1-methyl-4-propan-2-yl-2H-pyrrol-5-one
CID 135170663

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-hydroxy-4-methyl-2,5-dihydropyridin-6-one?
The IUPAC name of 1-ethyl-2-hydroxy-4-methyl-2,5-dihydropyridin-6-one (CID 56625241) is 1-ethyl-2-hydroxy-4-methyl-2,5-dihydropyridin-6-one.
What is the SMILES notation for 1-ethyl-2-hydroxy-4-methyl-2,5-dihydropyridin-6-one?
The canonical SMILES for 1-ethyl-2-hydroxy-4-methyl-2,5-dihydropyridin-6-one is CCN1C(=O)CC(C)=CC1O.
What is the InChIKey of 1-ethyl-2-hydroxy-4-methyl-2,5-dihydropyridin-6-one?
The InChIKey is XFGREJYBICWEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-9-7(10)4-6(2)5-8(9)11/h4,7,10H,3,5H2,1-2H3.
What are the key properties of 1-ethyl-2-hydroxy-4-methyl-2,5-dihydropyridin-6-one?
1-ethyl-2-hydroxy-4-methyl-2,5-dihydropyridin-6-one has a molecular weight of 155.20 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-hydroxy-4-methyl-2,5-dihydropyridin-6-one is sourced from PubChem (CID 56625241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).