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
   -0.9435    1.5423   -0.4800 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2376    0.4114    0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6719    0.1401    0.1552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1491   -0.9885    0.6442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6020    1.2313   -0.2838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2729   -0.5318    0.3810 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0972   -0.3206    0.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9332   -1.4378    0.3287 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2989   -1.3278    0.2448 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8713   -0.0883    0.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0644    1.0186    0.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6707    0.9120    0.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6309    0.0830   -0.0163 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2166   -1.1556    0.7408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5224   -1.7817    0.9644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7585    1.8634    0.6210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5396    0.8358   -0.6976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1390    1.8452   -1.1009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6019   -1.4665    0.7831 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4894   -2.4177    0.4460 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9513   -2.1986    0.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5328    1.9930   -0.0867 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1149    1.8387    0.0710 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