Monomers
1-(2-Chloroethyl)-3-methylidenepyrrolidine-2,5-dione
Identifiers
IUPAC name
1-(2-chloroethyl)-3-methylidenepyrrolidine-2,5-dione
InchI
InChI=1S/C7H8ClNO2/c1-5-4-6(10)9(3-2-8)7(5)11/h1-4H2
InchI Key
RQMCNOJWPMUAKJ-UHFFFAOYSA-N
SMILES
ClCCN1C(=O)CC(=C)C1=O
Canonical SMILES
C=C1CC(=O)N(C1=O)CCCl
Isomeric SMILES
C=C1CC(=O)N(C1=O)CCCl
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C7H8ClNO2
Heavy Atom Count
11
Molecular Weight
173.599
Exact Molecular Weight
173.0244
Valence Electrons
60
Radical Electrons
0
tPSA
37.38
MolLogP
0.5403
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0
MOL File
RDKit 3D
19 19 0 0 0 0 0 0 0 0999 V2000
-2.1695 3.3934 -1.7310 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.2221 1.9019 -1.5364 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1251 1.5947 -0.0638 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3642 0.3871 0.1874 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9690 -0.8989 0.2511 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1509 -1.2440 -0.0087 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0659 -1.8632 0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3603 -1.1691 0.6183 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5324 -1.7410 0.7186 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0322 0.2423 0.4056 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8845 1.1590 0.4209 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2549 2.0267 -2.0229 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7703 1.0682 -2.0193 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6435 2.4475 0.4842 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1512 1.4913 0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0739 -2.7155 -0.0041 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1518 -2.1384 1.7408 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6031 -2.7929 0.8748 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4203 -1.1491 0.6435 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 2 3
8 10 1 0
10 11 2 0
10 4 1 0
2 12 1 0
2 13 1 0
3 14 1 0
3 15 1 0
7 16 1 0
7 17 1 0
9 18 1 0
9 19 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers