Monomers
N-Phenylmethacrylamide
Identifiers
IUPAC name
2-methyl-N-phenylprop-2-enamide
InchI
InChI=1S/C10H11NO/c1-8(2)10(12)11-9-6-4-3-5-7-9/h3-7H,1H2,2H3,(H,11,12)
InchI Key
IJSVVICYGLOZHA-UHFFFAOYSA-N
SMILES
O=C(C(=C)C)Nc1ccccc1
Canonical SMILES
CC(=C)C(=O)NC1=CC=CC=C1
Isomeric SMILES
CC(=C)C(=O)NC1=CC=CC=C1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H11NO
Heavy Atom Count
12
Molecular Weight
161.204
Exact Molecular Weight
161.0841
Valence Electrons
62
Radical Electrons
0
tPSA
29.1
MolLogP
2.2012
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
1.0263 0.4596 1.6170 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2642 0.0645 0.4482 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6753 -0.1097 0.1111 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0200 -0.5165 -1.0789 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7274 0.1742 1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1963 -0.1736 -0.4215 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1715 -0.0129 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1233 -0.5024 -1.0591 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4623 -0.3988 -0.9028 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9605 0.2193 0.2222 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0514 0.7118 1.1515 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6749 0.6031 0.9862 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0858 -0.6472 -1.3307 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3443 -0.7476 -1.8738 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2662 0.3933 2.1073 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3217 -0.7687 1.2712 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3844 1.0014 0.8569 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4560 -0.5045 -1.3901 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7381 -0.9892 -1.9441 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1353 -0.8029 -1.6637 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0163 0.3169 0.3753 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3867 1.2108 2.0613 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0475 1.0191 1.7522 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
12 7 1 0
4 13 1 0
4 14 1 0
5 15 1 0
5 16 1 0
5 17 1 0
6 18 1 0
8 19 1 0
9 20 1 0
10 21 1 0
11 22 1 0
12 23 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers