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
-0.6969 0.4333 -1.9364 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1788 0.2826 -0.7942 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6389 0.4180 -0.5696 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3831 0.6995 -1.6182 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2212 0.2412 0.7851 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3433 -0.0162 0.2867 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0659 -0.1845 0.2534 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8212 -0.2458 -0.8795 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2195 -0.4021 -0.8215 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8684 -0.4983 0.3782 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1372 -0.4403 1.5312 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7791 -0.2880 1.4538 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9451 0.8250 -2.5944 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4551 0.8158 -1.5456 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2719 0.5231 0.8222 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6379 0.8022 1.5594 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1485 -0.8397 1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8535 -0.1259 1.2318 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3636 -0.1826 -1.8521 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7787 -0.4455 -1.7519 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9435 -0.6188 0.4405 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6128 -0.5130 2.5222 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1844 -0.2400 2.3592 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