Monomers
N-Vinyl-2-pyrrolidone
Identifiers
IUPAC name
1-ethenylpyrrolidin-2-one
InchI
InChI=1S/C6H9NO/c1-2-7-5-3-4-6(7)8/h2H,1,3-5H2
InchI Key
WHNWPMSKXPGLAX-UHFFFAOYSA-N
SMILES
C=CN1CCCC1=O
Canonical SMILES
C=CN1CCCC1=O
Isomeric SMILES
C=CN1CCCC1=O
Resources
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
0.7523
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
2.8297 0.1966 0.2207 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6087 -0.4422 0.2759 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5223 0.2342 0.7044 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6240 -1.0909 0.3472 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3301 -0.2486 -0.6485 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7790 0.8480 0.3079 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5758 0.9178 1.1374 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4582 1.5982 2.2676 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9247 1.2133 0.5105 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6693 -0.3485 -0.1291 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7038 -1.4831 -0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0329 -1.1523 1.2985 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0546 -1.8154 -0.0127 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6134 0.1585 -1.4023 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1977 -0.7618 -1.1174 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6614 0.4082 0.8686 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0405 1.7681 -0.2082 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 2 0
7 3 1 0
1 9 1 0
1 10 1 0
2 11 1 0
4 12 1 0
4 13 1 0
5 14 1 0
5 15 1 0
6 16 1 0
6 17 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers