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
0.8341 1.8771 -0.3634 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2416 0.7159 -0.1195 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6840 0.5621 -0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4699 1.5826 -0.1804 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2343 -0.7706 0.2631 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3458 -0.3508 0.0438 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0525 -0.2678 -0.0332 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7748 0.9030 -0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1659 0.8914 -0.1222 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8686 -0.2846 -0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1680 -1.4703 -0.2434 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8055 -1.4557 -0.1468 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6169 -0.3475 -0.3584 Cl 0 0 0 0 0 0 0 0 0 0 0 0
4.5471 1.5633 -0.1251 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0553 2.5809 -0.3931 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3141 -0.7865 0.0046 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7256 -1.5916 -0.2881 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1091 -0.9394 1.3709 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7795 -1.2896 0.2439 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2728 1.8782 0.0728 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7026 1.8264 -0.1121 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6983 -2.4367 -0.3301 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2146 -2.3898 -0.1537 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