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
   -1.3114   -1.2011    1.1476 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3974   -0.3031    0.2901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7589    0.1157   -0.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7895   -0.4709    0.4591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9339    1.1956   -1.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2564    0.3008   -0.2908 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0781   -0.0047    0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1128    0.5211   -0.7920 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4285    0.2530   -0.5295 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8330   -0.5402    0.5168 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8449   -1.0660    1.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4924   -0.7948    1.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5353   -0.8613    0.8211 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6345   -1.2384    1.1917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7819   -0.1598    0.1656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9807    1.1203   -1.4920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7095    2.1966   -0.7095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2399    1.0016   -1.9647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4338    1.0605   -1.0182 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8077    1.1535   -1.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2072    0.6687   -1.1545 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1177   -1.7023    2.1507 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7703   -1.2448    1.7236 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