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
-0.9435 1.5423 -0.4800 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2376 0.4114 0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6719 0.1401 0.1552 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1491 -0.9885 0.6442 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6020 1.2313 -0.2838 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2729 -0.5318 0.3810 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0972 -0.3206 0.2662 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9332 -1.4378 0.3287 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2989 -1.3278 0.2448 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8713 -0.0883 0.0949 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0644 1.0186 0.0321 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6707 0.9120 0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6309 0.0830 -0.0163 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-4.2166 -1.1556 0.7408 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5224 -1.7817 0.9644 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7585 1.8634 0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5396 0.8358 -0.6976 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1390 1.8452 -1.1009 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6019 -1.4665 0.7831 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4894 -2.4177 0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9513 -2.1986 0.2935 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5328 1.9930 -0.0867 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1149 1.8387 0.0710 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