4-(1-ethoxyethenyl)-3-methyl-1H-pyridin-2-one

C10H13NO2 — CID 89491071

IUPAC4-(1-ethoxyethenyl)-3-methyl-1H-pyridin-2-one
SMILESC=C(OCC)c1cc[nH]c(=O)c1C
InChIInChI=1S/C10H13NO2/c1-4-13-8(3)9-5-6-11-10(12)7(9)2/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyRSAMDKJKWOHOQX-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.69
Rot. Bonds3

About 4-(1-ethoxyethenyl)-3-methyl-1H-pyridin-2-one

4-(1-ethoxyethenyl)-3-methyl-1H-pyridin-2-one (PubChem CID 89491071) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-(1-ethoxyethenyl)-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(1-ethoxyethenyl)-3-methyl-1H-pyridin-2-one
PubChem CID89491071
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name4-(1-ethoxyethenyl)-3-methyl-1H-pyridin-2-one
SMILESC=C(OCC)c1cc[nH]c(=O)c1C
InChIInChI=1S/C10H13NO2/c1-4-13-8(3)9-5-6-11-10(12)7(9)2/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyRSAMDKJKWOHOQX-UHFFFAOYSA-N
XLogP1.69
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-Pyridinecarboxylic acid, 1,2-dihydro-2-oxo-, 1-methylethyl ester
CID 71757680
Methoxy-methylpyridinone
CID 124087879
2,3-Dimethyl-2,6-dihydropyrano[3,2-c]pyridin-5-one
CID 135075601
ethyl 3-fluoro-2-oxo-1H-pyridine-4-carboxylate
CID 46311516
Ethyl 2-hydroxy-3-(trifluoromethyl)isonicotinate
CID 118704268
ethyl 3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
CID 133093191
4-Ethoxy-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 15767201
2-Hydroxy-4-(4-methoxybutoxy)-3-methylpyridine
CID 19600573
4-(2-methoxyethoxy)-3-methyl-1H-pyridin-2-one
CID 19600575
Ethyl 2-oxo-1,2-dihydropyridine-4-carboxylate
CID 22625086
4-methoxy-3-[(E)-2-methoxyethenyl]-1-methylpyridin-2-one
CID 59727844
4-Propoxy-2-keto-3-methylpyridine
CID 66739454

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxyethenyl)-3-methyl-1H-pyridin-2-one?
The IUPAC name of 4-(1-ethoxyethenyl)-3-methyl-1H-pyridin-2-one (CID 89491071) is 4-(1-ethoxyethenyl)-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-(1-ethoxyethenyl)-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-(1-ethoxyethenyl)-3-methyl-1H-pyridin-2-one is C=C(OCC)c1cc[nH]c(=O)c1C.
What is the InChIKey of 4-(1-ethoxyethenyl)-3-methyl-1H-pyridin-2-one?
The InChIKey is RSAMDKJKWOHOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-4-13-8(3)9-5-6-11-10(12)7(9)2/h5-6H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 4-(1-ethoxyethenyl)-3-methyl-1H-pyridin-2-one?
4-(1-ethoxyethenyl)-3-methyl-1H-pyridin-2-one has a molecular weight of 179.22 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxyethenyl)-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 89491071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).