3-(4-chlorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)acrylonitrile
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Basic information
- CAS
339009-43-7- Standard SMILES
Cn1cccc1/C(C#N)=C/c1ccc(Cl)cc1- InChIKey
GLUDENDHWQXLKU-FMIVXFBMSA-N- Molecular formula
- C14H11ClN2
- Average molar mass
- 242.7 g/mol
Names & identifiers
- Preferred name
- 3-(4-chlorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)acrylonitrile
- IUPAC
- (Z)-3-(4-chlorophenyl)-2-(1-methylpyrrol-2-yl)prop-2-enenitrile
- English name
- 3-(4-Chlorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)acrylonitrile
- Molecular formula
- C14H11ClN2
- Molecular weight
- 242.7
Names & synonyms
339009-43-73-(4-chlorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)acrylonitrileMFCD00173113(Z)-3-(4-chlorophenyl)-2-(1-methylpyrrol-2-yl)prop-2-enenitrile(2Z)-3-(4-chlorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)prop-2-enenitrileAKOS0050994787F-014(Z)-3-(4-chlorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)acrylonitrile1H-Pyrrole-2-acetonitrile, α-[(4-chlorophenyl)methylene]-1-methyl-
Database identifiers
- CAS
339009-43-7
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Boiling point
- 384.7 · 384.7±37.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- pka
- -6.87 · -6.87±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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