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
-0.8431 1.2241 1.6131 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5115 0.7712 0.6496 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9624 1.0545 0.5592 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7182 0.6202 -0.4074 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5728 1.8754 1.6300 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8402 0.0023 -0.3167 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5291 -0.3489 -0.3542 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0556 -0.9287 -1.5248 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3760 -1.2991 -1.6071 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2617 -1.1324 -0.5696 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7637 -0.5691 0.5773 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4081 -0.1836 0.6762 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6276 -1.5159 -0.6564 N 0 0 0 0 0 4 0 0 0 0 0 0
5.3939 -1.3447 0.3127 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1664 -2.0816 -1.7820 O 0 0 0 0 0 1 0 0 0 0 0 0
-3.4237 0.0164 -1.2523 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7699 0.8724 -0.3988 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7983 2.6457 1.9088 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7188 1.2669 2.5547 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5154 2.3564 1.3045 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4754 -0.3485 -1.1113 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3632 -1.0602 -2.3402 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 -1.7445 -2.5315 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3939 -0.3981 1.4536 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0672 0.2499 1.6127 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