Monomers
1-(4-Methoxyphenyl)-1H-pyrrole-2,5-dione
Identifiers
IUPAC name
1-(4-methoxyphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C11H9NO3/c1-15-9-4-2-8(3-5-9)12-10(13)6-7-11(12)14/h2-7H,1H3
InchI Key
XAHCEMQKWSQGLQ-UHFFFAOYSA-N
SMILES
COc1ccc(cc1)N1C(=O)C=CC1=O
Canonical SMILES
COC1=CC=C(C=C1)N2C(=O)C=CC2=O
Isomeric SMILES
COC1=CC=C(C=C1)N2C(=O)C=CC2=O
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C11H9NO3
Heavy Atom Count
15
Molecular Weight
203.197
Exact Molecular Weight
203.0582
Valence Electrons
76
Radical Electrons
0
tPSA
46.61
MolLogP
1.1246
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
1
MOL File
RDKit 3D
24 25 0 0 0 0 0 0 0 0999 V2000
4.6227 -0.2449 -0.2229 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5612 0.4700 -0.7717 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2206 0.2828 -0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3021 1.1029 -1.1809 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0609 0.9855 -1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5677 0.0340 -0.1561 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3170 -0.7898 0.4982 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6887 -0.6711 0.3164 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9833 -0.0475 -0.0050 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8689 1.0871 0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5746 2.2958 -0.0958 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2163 0.5725 0.1875 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2059 -0.7374 0.2715 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8298 -1.1771 0.1568 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4012 -2.3636 0.1893 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1151 0.2981 0.6288 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4240 -0.3052 -1.0057 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2728 -1.2287 0.1002 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7005 1.8655 -1.8539 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6883 1.6755 -1.5541 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0481 -1.5458 1.1629 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3864 -1.3227 0.8331 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1083 1.1858 0.2418 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0578 -1.4215 0.4022 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
6 9 1 0
9 10 1 0
10 11 2 0
10 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
8 3 1 0
14 9 1 0
1 16 1 0
1 17 1 0
1 18 1 0
4 19 1 0
5 20 1 0
7 21 1 0
8 22 1 0
12 23 1 0
13 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers