Monomers
2-Methyl-N-(4-nitrophenyl)prop-2-enamide
Identifiers
IUPAC name
2-methyl-N-(4-nitrophenyl)prop-2-enamide
InchI
InChI=1S/C10H10N2O3/c1-7(2)10(13)11-8-3-5-9(6-4-8)12(14)15/h3-6H,1H2,2H3,(H,11,13)
InchI Key
DPNRVEROTZRVQP-UHFFFAOYSA-N
SMILES
O=C(C(=C)C)Nc1ccc(cc1)[N+](=O)[O-]
Canonical SMILES
CC(=C)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-]
Isomeric SMILES
CC(=C)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-]
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H10N2O3
Heavy Atom Count
15
Molecular Weight
206.201
Exact Molecular Weight
206.0691
Valence Electrons
78
Radical Electrons
0
tPSA
72.24
MolLogP
2.1094
H Bond Acceptors
3
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
25 25 0 0 0 0 0 0 0 0999 V2000
-1.3067 1.8907 0.4729 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7133 0.7260 0.2189 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1560 0.4259 0.2354 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9991 1.3807 0.5155 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6475 -0.9293 -0.0588 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8098 -0.3098 -0.0844 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5903 -0.1782 -0.1436 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2470 1.0050 -0.1201 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6471 1.0583 -0.1688 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4131 -0.0774 -0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7250 -1.2703 -0.2655 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3749 -1.3368 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8345 -0.0548 -0.2930 N 0 0 0 0 0 4 0 0 0 0 0 0
5.4530 1.0212 -0.2721 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5518 -1.2063 -0.3655 O 0 0 0 0 0 1 0 0 0 0 0 0
-5.0720 1.1921 0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6245 2.3695 0.7293 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0641 -1.7037 0.5121 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6923 -1.0540 0.2604 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5536 -1.1511 -1.1619 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2375 -1.2753 -0.2876 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7665 1.9469 -0.0735 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1274 2.0153 -0.1476 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2883 -2.1906 -0.3232 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8577 -2.2942 -0.2386 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
10 13 1 0
13 14 2 0
13 15 1 0
12 7 1 0
4 16 1 0
4 17 1 0
5 18 1 0
5 19 1 0
5 20 1 0
6 21 1 0
8 22 1 0
9 23 1 0
11 24 1 0
12 25 1 0
M CHG 2 13 1 15 -1
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers