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
    0.9063    1.6682    0.9580 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2884    0.6196    0.3942 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7358    0.3677    0.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5952    1.2608    0.6195 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2404   -0.8522   -0.4663 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3256   -0.3102   -0.0438 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0795   -0.1862    0.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7573    0.7900    0.7555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1413    0.8767    0.8545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9077   -0.0817    0.2445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2752   -1.1020   -0.4484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9067   -1.1531   -0.5236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6503    0.0151    0.3610 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6684    1.1579    0.5151 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2205    2.1553    1.1033 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828   -1.1263   -1.3334 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3845   -1.7030    0.2217 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2433   -0.6719   -0.9492 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7183   -1.1942   -0.5226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2197    1.5657    1.2579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6166    1.6808    1.4000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9263   -1.8298   -0.9095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4288   -1.9471   -1.0624 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