Monomers
2,5-Pyrrolidinedione, 3-methylene-1-(4-methylphenyl)-
Identifiers
IUPAC name
3-methylidene-1-(4-methylphenyl)pyrrolidine-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-8-3-5-10(6-4-8)13-11(14)7-9(2)12(13)15/h3-6H,2,7H2,1H3
InchI Key
CFKWVBVWGCLNHU-UHFFFAOYSA-N
SMILES
Cc1ccc(cc1)N1C(=O)CC(=C)C1=O
Canonical SMILES
CC1=CC=C(C=C1)N2C(=O)CC(=C)C2=O
Isomeric SMILES
CC1=CC=C(C=C1)N2C(=O)CC(=C)C2=O
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C12H11NO2
Heavy Atom Count
15
Molecular Weight
201.225
Exact Molecular Weight
201.079
Valence Electrons
76
Radical Electrons
0
tPSA
37.38
MolLogP
1.8145
H Bond Acceptors
2
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
26 27 0 0 0 0 0 0 0 0999 V2000
-4.6061 -0.1613 0.3585 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1222 -0.1535 0.1929 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5433 -0.5690 -0.9891 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1649 -0.5603 -1.1390 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3104 -0.1458 -0.1398 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9052 0.2710 1.0480 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2759 0.2629 1.1984 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1074 -0.1210 -0.2528 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9409 -1.1989 -0.6492 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5823 -2.3525 -1.0398 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3770 -0.8118 -0.5535 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3539 0.6337 -0.2118 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4011 1.4665 -0.1212 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9646 0.9825 0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5354 2.1044 0.3854 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9980 0.8168 -0.0476 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8686 -0.2403 1.4274 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0480 -0.9649 -0.2608 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1917 -0.9073 -1.8109 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6937 -0.8905 -2.0771 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2424 0.6033 1.8468 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7485 0.5874 2.1242 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9115 -0.9212 -1.5142 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9213 -1.3857 0.2052 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2167 2.4980 0.1389 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4066 1.1575 -0.2932 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
6 7 2 0
5 8 1 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 1 0
12 13 2 3
12 14 1 0
14 15 2 0
7 2 1 0
14 8 1 0
1 16 1 0
1 17 1 0
1 18 1 0
3 19 1 0
4 20 1 0
6 21 1 0
7 22 1 0
11 23 1 0
11 24 1 0
13 25 1 0
13 26 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers