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

C17H18N2O — CID 45113016

IUPAC2,2-dimethyl-4-[(E)-2-(2-methylphenyl)ethenyl]-6-oxo-1,3-dihydropyridine-5-carbonitrile
SMILESCc1ccccc1/C=C/C1=C(C#N)C(=O)NC(C)(C)C1
InChIInChI=1S/C17H18N2O/c1-12-6-4-5-7-13(12)8-9-14-10-17(2,3)19-16(20)15(14)11-18/h4-9H,10H2,1-3H3,(H,19,20)/b9-8+
InChIKeyQROYNCGILGZTMH-CMDGGOBGSA-N
MW266.34 g/mol
LogP3.13
Rot. Bonds2

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

2,2-dimethyl-4-[(E)-2-(2-methylphenyl)ethenyl]-6-oxo-1,3-dihydropyridine-5-carbonitrile (PubChem CID 45113016) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2,2-dimethyl-4-[(E)-2-(2-methylphenyl)ethenyl]-6-oxo-1,3-dihydropyridine-5-carbonitrile.

Molecular Properties

Compound Name2,2-dimethyl-4-[(E)-2-(2-methylphenyl)ethenyl]-6-oxo-1,3-dihydropyridine-5-carbonitrile
PubChem CID45113016
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2,2-dimethyl-4-[(E)-2-(2-methylphenyl)ethenyl]-6-oxo-1,3-dihydropyridine-5-carbonitrile
SMILESCc1ccccc1/C=C/C1=C(C#N)C(=O)NC(C)(C)C1
InChIInChI=1S/C17H18N2O/c1-12-6-4-5-7-13(12)8-9-14-10-17(2,3)19-16(20)15(14)11-18/h4-9H,10H2,1-3H3,(H,19,20)/b9-8+
InChIKeyQROYNCGILGZTMH-CMDGGOBGSA-N
XLogP3.13
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(E)-2-(2-fluorophenyl)ethenyl]-2,2-dimethyl-6-oxo-1,3-dihydropyridine-5-carbonitrile
CID 45112778
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
2,2-dimethyl-6-oxo-4-[(E)-2-phenylethenyl]-3H-pyran-5-carbonitrile
CID 11470783
4-[2-[4-[2-(2-methylphenyl)ethenyl]phenyl]ethenyl]benzonitrile
CID 142825891
4-[(E)-2-(2,3-dimethylphenyl)ethenyl]-6-oxo-2-sulfanyl-2,3-dihydro-1H-pyrimidine-5-carbonitrile
CID 134508279
9-methyl-5-(2-methylphenyl)-2-oxo-4-sulfanyl-1,5-diazaspiro[5.5]undec-3-ene-3-carbonitrile
CID 18866087
5-hydroxy-4-methyl-2-oxo-5-phenyl-1H-pyrrole-3-carbonitrile
CID 15557434
diethyl 3-methyl-4-[(Z)-2-(2-methylphenyl)ethenyl]cyclopent-3-ene-1,1-dicarboxylate
CID 24949820
6-anilino-2,2-dimethyl-4-oxo-3H-1,3-thiazine-5-carbonitrile
CID 24805488
1-[(E)-2-(2-methylphenyl)ethenyl]cyclopropan-1-amine
CID 105435585
5,11,13,15-tetrakis[(E)-2-(2-methylphenyl)ethenyl]tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaene
CID 10604517

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[(E)-2-(2-methylphenyl)ethenyl]-6-oxo-1,3-dihydropyridine-5-carbonitrile?
The IUPAC name of 2,2-dimethyl-4-[(E)-2-(2-methylphenyl)ethenyl]-6-oxo-1,3-dihydropyridine-5-carbonitrile (CID 45113016) is 2,2-dimethyl-4-[(E)-2-(2-methylphenyl)ethenyl]-6-oxo-1,3-dihydropyridine-5-carbonitrile.
What is the SMILES notation for 2,2-dimethyl-4-[(E)-2-(2-methylphenyl)ethenyl]-6-oxo-1,3-dihydropyridine-5-carbonitrile?
The canonical SMILES for 2,2-dimethyl-4-[(E)-2-(2-methylphenyl)ethenyl]-6-oxo-1,3-dihydropyridine-5-carbonitrile is Cc1ccccc1/C=C/C1=C(C#N)C(=O)NC(C)(C)C1.
What is the InChIKey of 2,2-dimethyl-4-[(E)-2-(2-methylphenyl)ethenyl]-6-oxo-1,3-dihydropyridine-5-carbonitrile?
The InChIKey is QROYNCGILGZTMH-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-6-4-5-7-13(12)8-9-14-10-17(2,3)19-16(20)15(14)11-18/h4-9H,10H2,1-3H3,(H,19,20)/b9-8+.
What are the key properties of 2,2-dimethyl-4-[(E)-2-(2-methylphenyl)ethenyl]-6-oxo-1,3-dihydropyridine-5-carbonitrile?
2,2-dimethyl-4-[(E)-2-(2-methylphenyl)ethenyl]-6-oxo-1,3-dihydropyridine-5-carbonitrile has a molecular weight of 266.34 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[(E)-2-(2-methylphenyl)ethenyl]-6-oxo-1,3-dihydropyridine-5-carbonitrile is sourced from PubChem (CID 45113016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).