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
1.2114 -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