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

C16H14Cl2N2O — CID 45113128

IUPAC4-[(E)-2-(2,6-dichlorophenyl)ethenyl]-2,2-dimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile
SMILESCC1(C)CC(/C=C/c2c(Cl)cccc2Cl)=C(C#N)C(=O)N1
InChIInChI=1S/C16H14Cl2N2O/c1-16(2)8-10(12(9-19)15(21)20-16)6-7-11-13(17)4-3-5-14(11)18/h3-7H,8H2,1-2H3,(H,20,21)/b7-6+
InChIKeyBGAWNFUAUOMVCO-VOTSOKGWSA-N
MW321.21 g/mol
LogP4.13
Rot. Bonds2

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

4-[(E)-2-(2,6-dichlorophenyl)ethenyl]-2,2-dimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile (PubChem CID 45113128) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 4-[(E)-2-(2,6-dichlorophenyl)ethenyl]-2,2-dimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile.

Molecular Properties

Compound Name4-[(E)-2-(2,6-dichlorophenyl)ethenyl]-2,2-dimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile
PubChem CID45113128
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name4-[(E)-2-(2,6-dichlorophenyl)ethenyl]-2,2-dimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile
SMILESCC1(C)CC(/C=C/c2c(Cl)cccc2Cl)=C(C#N)C(=O)N1
InChIInChI=1S/C16H14Cl2N2O/c1-16(2)8-10(12(9-19)15(21)20-16)6-7-11-13(17)4-3-5-14(11)18/h3-7H,8H2,1-2H3,(H,20,21)/b7-6+
InChIKeyBGAWNFUAUOMVCO-VOTSOKGWSA-N
XLogP4.13
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.13
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-fluorophenyl)ethenyl]-2,2-dimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile
CID 45112778
4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-2,2-dimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile
CID 45113132
2,2-dimethyl-6-oxo-4-[(E)-2-phenylethenyl]-3H-pyran-5-carbonitrile
CID 11470783
5-amino-3,3-dimethyl-2,4-dihydroisoquinolin-1-one
CID 134828373
4-(2-chlorophenyl)-4-methylpyrrolidin-2-one
CID 66108466
(Z)-1-(2,6-dichlorophenyl)-4-methylpent-1-en-3-one
CID 92531585
(5Z)-5-[(2,6-dichlorophenyl)methylidene]imidazolidine-2,4-dione
CID 15716902
1,3-dichloro-2-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 118370759
(Z)-4-(2,6-dichlorophenyl)but-3-en-2-one
CID 42556106
6-chloro-3a-methyl-2,3,4,9b-tetrahydro-1H-benzo[e]isoindol-5-one
CID 70664482
(10aS)-10a-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-10,10-dimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
CID 7524608

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(2,6-dichlorophenyl)ethenyl]-2,2-dimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile?
The IUPAC name of 4-[(E)-2-(2,6-dichlorophenyl)ethenyl]-2,2-dimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile (CID 45113128) is 4-[(E)-2-(2,6-dichlorophenyl)ethenyl]-2,2-dimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile.
What is the SMILES notation for 4-[(E)-2-(2,6-dichlorophenyl)ethenyl]-2,2-dimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile?
The canonical SMILES for 4-[(E)-2-(2,6-dichlorophenyl)ethenyl]-2,2-dimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile is CC1(C)CC(/C=C/c2c(Cl)cccc2Cl)=C(C#N)C(=O)N1.
What is the InChIKey of 4-[(E)-2-(2,6-dichlorophenyl)ethenyl]-2,2-dimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile?
The InChIKey is BGAWNFUAUOMVCO-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c1-16(2)8-10(12(9-19)15(21)20-16)6-7-11-13(17)4-3-5-14(11)18/h3-7H,8H2,1-2H3,(H,20,21)/b7-6+.
What are the key properties of 4-[(E)-2-(2,6-dichlorophenyl)ethenyl]-2,2-dimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile?
4-[(E)-2-(2,6-dichlorophenyl)ethenyl]-2,2-dimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile has a molecular weight of 321.21 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2,6-dichlorophenyl)ethenyl]-2,2-dimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile is sourced from PubChem (CID 45113128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).