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
0.8934 1.5368 0.5543 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2403 0.3992 0.1307 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6834 0.1460 0.0561 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1396 -0.9905 -0.3654 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6366 1.2225 0.4754 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2543 -0.5037 -0.2236 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1457 -0.3169 -0.1777 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9784 -1.4198 -0.3955 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3397 -1.2931 -0.3727 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9336 -0.0675 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1514 1.0427 0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7691 0.8845 0.0569 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2087 -1.1412 -0.4068 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4826 -1.7729 -0.6696 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9737 1.1018 1.5081 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4905 1.1793 -0.2602 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1174 2.1861 0.2859 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5742 -1.4533 -0.5763 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5493 -2.3966 -0.5864 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9777 -2.1775 -0.5473 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0285 0.0416 -0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6071 2.0010 0.2735 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2140 1.7917 0.2282 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