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
   -1.0629    0.6134   -1.5370 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2972    0.1891   -0.3533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6894    0.0914    0.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0230   -0.3336    1.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7785    0.4823   -0.9043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2153   -0.1467    0.4556 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1539   -0.0812    0.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6695    0.4740   -0.9756 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0580    0.4588   -1.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9301   -0.0913   -0.2547 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4065   -0.6573    0.8907 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0456   -0.6451    1.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6647   -0.0752   -0.5488 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0862   -0.3833    1.4931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3340   -0.6427    2.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4584    1.2348   -0.4637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3154    0.7939   -1.8521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4211   -0.4105   -1.1272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4855   -0.4943    1.4345 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0643    0.9352   -1.7398 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4553    0.9038   -2.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0457   -1.1062    1.6393 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6735   -1.1094    2.0046 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