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
    1.2114   -1.2539   -0.8278 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3373   -0.1201   -0.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6913    0.4345   -0.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9098    1.5747    0.4434 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8658   -0.3211   -0.6852 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1695    0.4908    0.2322 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1598   -0.0015    0.1524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5372   -1.2545   -0.2366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8908   -1.6215   -0.2903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8997   -0.7528    0.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5275    0.5104    0.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2086    0.8725    0.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5965   -1.2297   -0.0318 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1230    2.1621    0.8579 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9108    1.9663    0.5183 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5661    0.4430   -1.0817 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3993   -0.8859    0.0901 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5468   -0.9269   -1.5539 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3204    1.4368    0.7122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7916   -1.9806   -0.5008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1692   -2.6178   -0.6010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3255    1.1935    0.6957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9449    1.8817    0.8031 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