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
    1.0041    1.3131   -1.4011 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3301    0.5174   -0.5007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7497    0.2834   -0.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6911    0.9247   -0.8287 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1218   -0.6641    0.9046 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3226   -0.1554    0.1934 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0596   -0.0723    0.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7515    0.7017   -0.8673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1482    0.6908   -0.9284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8992   -0.0993   -0.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2324   -0.8757    0.8068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8600   -0.8686    0.8709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6638   -0.0837   -0.2002 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4180    1.6094   -1.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7279    0.7635   -0.5954 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2020   -0.8863    0.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8231   -0.2915    1.9120 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5529   -1.6154    0.7556 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6840   -0.8237    0.9543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1823    1.3259   -1.5306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5926    1.3309   -1.6626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8132   -1.4978    1.4672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4246   -1.5272    1.6252 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