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
-0.9543 -1.2467 0.9706 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2492 -0.2492 0.2924 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6788 0.1042 0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1108 1.1331 -0.5138 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7129 -0.7326 0.8608 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1999 0.4634 -0.3080 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1378 0.1371 -0.2057 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0745 1.0857 -0.6679 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4181 0.9127 -0.6479 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9457 -0.2428 -0.1556 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 -1.2027 0.3081 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7137 -1.0002 0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3814 1.7546 -1.0203 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1739 1.3502 -0.5695 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2136 -0.1902 1.6645 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2278 -1.6559 1.2259 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4251 -1.0604 0.0511 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4596 1.3248 -0.8961 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7077 2.0402 -1.0761 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1264 1.6576 -1.0096 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0050 -0.4567 -0.1052 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4601 -2.1474 0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1105 -1.7788 0.6394 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