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
-2.3530 0.7798 -0.0634 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0125 0.1815 -0.0795 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5292 -0.8295 0.8482 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9744 -0.6979 0.8584 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3300 -0.0071 -0.4059 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5456 0.1420 -0.8855 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0543 0.4461 -0.9618 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0479 0.9985 -2.0864 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3150 1.8326 0.2855 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7879 0.7779 -1.0914 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9878 0.2057 0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8743 -1.8486 0.5817 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8744 -0.5879 1.8871 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3383 -0.0705 1.6987 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3944 -1.7176 0.9276 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7583 0.6524 -1.8107 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3868 -0.2574 -0.3445 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