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
1.2634 0.9424 -1.0448 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1028 0.7881 0.2134 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0045 1.4121 1.1473 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9097 1.3049 2.4233 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1243 2.2396 0.5716 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0315 0.0001 0.6453 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9355 -0.6680 -0.1293 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6996 -1.6504 0.5018 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6638 -2.3077 -0.2319 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9109 -2.0473 -1.5467 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1583 -1.0787 -2.1699 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1616 -0.3854 -1.4467 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1430 -2.8889 -2.4811 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6173 1.7970 3.0759 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1474 0.7391 2.8986 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5463 2.9116 1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9464 1.5521 0.2315 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7579 2.8660 -0.2637 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0843 -0.1146 1.7054 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5398 -1.9007 1.5634 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2515 -3.0649 0.2574 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3020 -0.8214 -3.2124 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6009 0.3749 -1.9726 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