4-[(E)-2-(2-fluorophenyl)ethenyl]-2,2-dimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile

C16H15FN2O — CID 45112778

IUPAC4-[(E)-2-(2-fluorophenyl)ethenyl]-2,2-dimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile
SMILESCC1(C)CC(/C=C/c2ccccc2F)=C(C#N)C(=O)N1
InChIInChI=1S/C16H15FN2O/c1-16(2)9-12(13(10-18)15(20)19-16)8-7-11-5-3-4-6-14(11)17/h3-8H,9H2,1-2H3,(H,19,20)/b8-7+
InChIKeyMTJNVCDIQHBZIL-BQYQJAHWSA-N
MW270.31 g/mol
LogP2.96
Rot. Bonds2

About 4-[(E)-2-(2-fluorophenyl)ethenyl]-2,2-dimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile

4-[(E)-2-(2-fluorophenyl)ethenyl]-2,2-dimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile (PubChem CID 45112778) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 4-[(E)-2-(2-fluorophenyl)ethenyl]-2,2-dimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile.

Molecular Properties

Compound Name4-[(E)-2-(2-fluorophenyl)ethenyl]-2,2-dimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile
PubChem CID45112778
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name4-[(E)-2-(2-fluorophenyl)ethenyl]-2,2-dimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile
SMILESCC1(C)CC(/C=C/c2ccccc2F)=C(C#N)C(=O)N1
InChIInChI=1S/C16H15FN2O/c1-16(2)9-12(13(10-18)15(20)19-16)8-7-11-5-3-4-6-14(11)17/h3-8H,9H2,1-2H3,(H,19,20)/b8-7+
InChIKeyMTJNVCDIQHBZIL-BQYQJAHWSA-N
XLogP2.96
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-4-[(E)-2-(2-methylphenyl)ethenyl]-6-oxo-1,3-dihydropyridine-5-carbonitrile
CID 45113016
4-[(E)-2-(2,6-dichlorophenyl)ethenyl]-2,2-dimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile
CID 45113128
4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-2,2-dimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile
CID 45113132
3-[(E)-2-(2-fluorophenyl)ethenyl]-5,5-dimethylcyclohex-2-en-1-one
CID 151206601
2,2-dimethyl-6-oxo-4-[(E)-2-phenylethenyl]-3H-pyran-5-carbonitrile
CID 11470783
(E)-3-(2-fluorophenyl)prop-2-enenitrile
CID 11062531
(5Z)-1-amino-5-[(E)-3-(2-fluorophenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
CID 89412284
1-fluoro-2-[(Z)-2-phenylethenyl]benzene
CID 46218050
4-[(Z)-2-(6,7-dimethyl-4-oxochromen-3-yl)ethenyl]-2,2-dimethyl-6-oxo-3H-pyran-5-carbonitrile
CID 54608791
2-[3-(2-fluorophenyl)prop-2-enylidene]propanedinitrile
CID 57349829
1-fluoro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 10036098
(4Z)-4-[(2-fluorophenyl)methylidene]-2-methyl-1H-imidazol-5-one
CID 136893560

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(2-fluorophenyl)ethenyl]-2,2-dimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile?
The IUPAC name of 4-[(E)-2-(2-fluorophenyl)ethenyl]-2,2-dimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile (CID 45112778) is 4-[(E)-2-(2-fluorophenyl)ethenyl]-2,2-dimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile.
What is the SMILES notation for 4-[(E)-2-(2-fluorophenyl)ethenyl]-2,2-dimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile?
The canonical SMILES for 4-[(E)-2-(2-fluorophenyl)ethenyl]-2,2-dimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile is CC1(C)CC(/C=C/c2ccccc2F)=C(C#N)C(=O)N1.
What is the InChIKey of 4-[(E)-2-(2-fluorophenyl)ethenyl]-2,2-dimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile?
The InChIKey is MTJNVCDIQHBZIL-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-16(2)9-12(13(10-18)15(20)19-16)8-7-11-5-3-4-6-14(11)17/h3-8H,9H2,1-2H3,(H,19,20)/b8-7+.
What are the key properties of 4-[(E)-2-(2-fluorophenyl)ethenyl]-2,2-dimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile?
4-[(E)-2-(2-fluorophenyl)ethenyl]-2,2-dimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile has a molecular weight of 270.31 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2-fluorophenyl)ethenyl]-2,2-dimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile is sourced from PubChem (CID 45112778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).