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
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
1.4457 -1.5217 -0.2334 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4385 -0.2768 -0.0866 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7182 0.4715 -0.0529 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8300 -0.2224 -0.1814 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7153 1.9364 0.1187 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2484 0.4336 0.0476 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0472 -0.1457 0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1482 0.6244 0.4534 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4270 0.1237 0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7204 -1.1549 0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6596 -1.9201 -0.4022 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3501 -1.4116 -0.3914 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3702 -1.7495 0.0191 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.8046 -1.2927 -0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7905 0.2687 -0.1643 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2854 2.2094 1.1156 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9923 2.3693 -0.6253 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7186 2.3756 -0.0455 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3278 1.5055 0.1724 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9025 1.6249 0.7846 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2625 0.7435 0.7765 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8604 -2.9268 -0.7409 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5673 -2.0643 -0.7436 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