Monomers
1-Methyl-3-methylene-2-pyrrolidinone
Identifiers
IUPAC name
1-methyl-3-methylidenepyrrolidin-2-one
InchI
InChI=1S/C6H9NO/c1-5-3-4-7(2)6(5)8/h1,3-4H2,2H3
InchI Key
AFXKUUDFKHVAGI-UHFFFAOYSA-N
SMILES
CN1CCC(=C)C1=O
Canonical SMILES
CN1CCC(=C)C1=O
Isomeric SMILES
CN1CCC(=C)C1=O
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H9NO
Heavy Atom Count
8
Molecular Weight
111.144
Exact Molecular Weight
111.0684
Valence Electrons
44
Radical Electrons
0
tPSA
20.31
MolLogP
0.4047
H Bond Acceptors
1
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
17 17 0 0 0 0 0 0 0 0999 V2000
2.4189 -0.3317 -0.1725 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0258 -0.0347 0.0568 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3631 1.2089 0.3332 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9851 1.0440 -0.3427 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3034 -0.3718 -0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4873 -0.9295 0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0033 -1.0366 0.0399 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1590 -2.2918 0.0721 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5267 -0.8845 -1.1181 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0067 0.6145 -0.1778 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7626 -0.9596 0.6929 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1452 1.2835 1.4293 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9066 2.0941 -0.0421 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7370 1.7496 0.0379 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8268 1.1048 -1.4349 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6261 -1.9707 0.3973 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3522 -0.2883 0.0835 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 3
5 7 1 0
7 8 2 0
7 2 1 0
1 9 1 0
1 10 1 0
1 11 1 0
3 12 1 0
3 13 1 0
4 14 1 0
4 15 1 0
6 16 1 0
6 17 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers