6-(4-ethylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile

C17H16N2O — CID 82099104

IUPAC6-(4-ethylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
SMILESC=CCn1c(-c2ccc(CC)cc2)ccc(C#N)c1=O
InChIInChI=1S/C17H16N2O/c1-3-11-19-16(10-9-15(12-18)17(19)20)14-7-5-13(4-2)6-8-14/h3,5-10H,1,4,11H2,2H3
InChIKeyRSHQOVWZQYZXCY-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.14
Rot. Bonds4

About 6-(4-ethylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile

6-(4-ethylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile (PubChem CID 82099104) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-ethylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
PubChem CID82099104
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name6-(4-ethylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
SMILESC=CCn1c(-c2ccc(CC)cc2)ccc(C#N)c1=O
InChIInChI=1S/C17H16N2O/c1-3-11-19-16(10-9-15(12-18)17(19)20)14-7-5-13(4-2)6-8-14/h3,5-10H,1,4,11H2,2H3
InChIKeyRSHQOVWZQYZXCY-UHFFFAOYSA-N
XLogP3.14
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(3,4-dimethylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
CID 82099080
6-(4-ethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile
CID 82520500
6-(4-fluorophenyl)-2-oxo-1-propylpyridine-3-carbonitrile
CID 82099180
6-(4-methylphenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 82099063
1-butyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
CID 82099181
6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 82099160
6-(4-tert-butylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carbonitrile
CID 82099274
6-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carbonitrile
CID 2765304
1-butyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carbonitrile
CID 82517769
1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82146449
6-(4-methylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid
CID 82099715
6-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-2-oxopyridine-3-carbonitrile
CID 82099318

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile?
The IUPAC name of 6-(4-ethylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile (CID 82099104) is 6-(4-ethylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-ethylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile?
The canonical SMILES for 6-(4-ethylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile is C=CCn1c(-c2ccc(CC)cc2)ccc(C#N)c1=O.
What is the InChIKey of 6-(4-ethylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile?
The InChIKey is RSHQOVWZQYZXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-3-11-19-16(10-9-15(12-18)17(19)20)14-7-5-13(4-2)6-8-14/h3,5-10H,1,4,11H2,2H3.
What are the key properties of 6-(4-ethylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile?
6-(4-ethylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile has a molecular weight of 264.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile is sourced from PubChem (CID 82099104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).