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
   -0.9018    1.8326   -0.5377 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2229    0.6557   -0.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6746    0.3487   -0.2891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5328    1.3091   -0.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1852   -0.9992   -0.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2906   -0.3687   -0.0165 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1031   -0.1842    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8447   -1.1939    0.6152 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2100   -1.0897    0.6547 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8362    0.0032    0.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1143    1.0059   -0.5178 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7296    0.8984   -0.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5832    0.1173    0.1531 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.5932    1.1212   -0.5513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2264    2.3423   -0.7596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5626   -1.8165   -0.4274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2002   -1.1655   -0.4789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2536   -1.1586    1.0795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6872   -1.3138    0.1778 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3237   -2.0296    1.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8035   -1.8582    1.1243 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967    1.8696   -0.9636 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1863    1.6739   -1.0398 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