Monomers

N-(4-chlorophenyl)-2-methylprop-2-enamide

Identifiers

IUPAC name
N-(4-chlorophenyl)-2-methylprop-2-enamide
InchI
InChI=1S/C10H10ClNO/c1-7(2)10(13)12-9-5-3-8(11)4-6-9/h3-6H,1H2,2H3,(H,12,13)
InchI Key
GXRCTSFTSSWVCN-UHFFFAOYSA-N
SMILES
O=C(C(=C)C)Nc1ccc(cc1)Cl
Canonical SMILES
CC(=C)C(=O)NC1=CC=C(C=C1)Cl
Isomeric SMILES
CC(=C)C(=O)NC1=CC=C(C=C1)Cl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H10ClNO
Heavy Atom Count
13
Molecular Weight
195.649
Exact Molecular Weight
195.0451
Valence Electrons
68
Radical Electrons
0
tPSA
29.1
MolLogP
2.8546
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 23 23  0  0  0  0  0  0  0  0999 V2000
    1.2320   -1.7258    0.1919 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4004   -0.4900    0.1276 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7741    0.0787    0.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7859   -0.7637    0.2244 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9644    1.5470    0.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2765    0.3568    0.0411 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0882   -0.0384    0.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5413   -1.3110   -0.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9118   -1.5593   -0.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8523   -0.5655    0.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3953    0.7305    0.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0435    0.9743    0.1381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5583   -0.9631    0.0048 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7999   -0.3910    0.2379 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6411   -1.8191    0.2790 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2683    2.0136    0.7986 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6286    1.8541   -0.9522 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9688    1.8696    0.3215 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5043    1.3951   -0.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8596   -2.1408   -0.2182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2155   -2.6061   -0.2137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1065    1.5448    0.2385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6719    2.0090    0.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  3
  3  5  1  0
  2  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 10 13  1  0
 12  7  1  0
  4 14  1  0
  4 15  1  0
  5 16  1  0
  5 17  1  0
  5 18  1  0
  6 19  1  0
  8 20  1  0
  9 21  1  0
 11 22  1  0
 12 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers