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
0.9045 1.5856 1.1310 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2696 0.5504 0.5252 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7006 0.2309 0.4435 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5614 1.0415 1.0092 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1391 -0.9810 -0.2644 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3180 -0.2950 -0.0693 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0827 -0.1096 -0.0715 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9049 -1.1346 -0.5797 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2732 -1.0278 -0.6245 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8632 0.1172 -0.1582 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1251 1.1568 0.3508 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7358 0.9956 0.3728 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2002 1.9199 1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6385 0.8541 0.9802 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8830 -0.9572 -1.3624 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1858 -1.2422 -0.0937 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5183 -1.8357 0.1357 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7283 -1.1472 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4376 -2.0485 -0.9522 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8916 -1.8242 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9440 0.2439 -0.1747 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5926 2.0649 0.7206 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1965 1.8422 0.7762 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