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
   -0.8017    1.7926    0.7417 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2483    0.7270    0.3011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7088    0.5496    0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4855    1.5126    0.6263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2480   -0.7123   -0.2936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3524   -0.2685   -0.1107 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0552   -0.2278   -0.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8227    0.8054    0.3332 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2153    0.7938    0.3280 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8679   -0.3117   -0.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1139   -1.3753   -0.5693 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7586   -1.3601   -0.5627 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6139   -0.4194   -0.1745 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0593    2.4268    1.0043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5672    1.4503    0.6008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3338   -0.5851   -0.4829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0887   -1.5400    0.4538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6985   -0.9535   -1.2465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8198   -1.1579   -0.4783 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    1.7021    0.7042 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7448    1.6401    0.6781 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6558   -2.2661   -0.9380 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2114   -2.2228   -0.9195 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