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
-0.7645 0.5642 -1.6091 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1764 0.1968 -0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6079 0.1739 -0.2469 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0946 -0.1965 0.8981 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5201 0.5847 -1.3473 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2850 -0.1828 0.5288 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1254 -0.1678 0.3503 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9110 -0.9559 1.1985 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2806 -0.9820 1.1133 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8961 -0.2097 0.1651 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1715 0.5788 -0.6881 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7750 0.5909 -0.5838 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1976 -0.1900 1.0081 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5859 -0.5180 1.7835 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9705 1.0149 -2.2095 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1777 -0.2656 -1.6641 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1629 1.4004 -0.9395 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6659 -0.5006 1.4919 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3729 -1.5480 1.9302 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8120 -1.6197 1.8085 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9881 -0.2147 0.0784 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6403 1.1950 -1.4427 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2362 1.2515 -1.2777 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